← Back to consensus flow objects
5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol
| Flow Object ID | fo-eafccb4323476040 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 2122-86-3 | ||||
| EC Numbers | 633-649-9 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
OWDANLZJJOCPBK-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C6H3N3O5/c10-6-8-7-5(14-6)3-1-2-4(13-3)9(11)12/h1-2H,(H,8,10)
|
| IUPAC name |
5-(5-nitro-2-furanyl)-3H-1,3,4-oxadiazol-2-one, 5-(5-nitro-2-furyl)-3H-1,3,4-oxadiazol-2-one, 5-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-one
|
| Molecular formula |
C6H3N3O5
|
| SMILES |
C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.621G
- https://chem.echa.europa.eu/100.161.702
- https://commonchemistry.cas.org/detail?cas_rn=2122-86-3
- https://comptox.epa.gov/dashboard/DTXSID5020948
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25249
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JR2H6CR3KP
- https://pubchem.ncbi.nlm.nih.gov/compound/16463
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259187
- https://www.wikidata.org/wiki/Q81983647
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f31245c… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
f1319d55… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1f31245c… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
f1319d55… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"2122-86-3":"exactMatch"} |
group_key=5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2122-86-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eafccb4323476040: {'2122-86-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-eafccb4323476040",
"prefLabel": [
{
"@value": "5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3N3O5"
],
"rdfs:label": "Molecular formula",
"provenance": {
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"OWDANLZJJOCPBK-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C6H3N3O5/c10-6-8-7-5(14-6)3-1-2-4(13-3)9(11)12/h1-2H,(H,8,10)"
],
"rdfs:label": "InChI",
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}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"5-(5-nitro-2-furanyl)-3H-1,3,4-oxadiazol-2-one",
"5-(5-nitro-2-furyl)-3H-1,3,4-oxadiazol-2-one",
"5-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-one"
],
"rdfs:label": "IUPAC name",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
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{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1f31245c-6556-11dd-ad8b-0800200c9a66",
"seed_source": "EF 3.1"
},
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"origin_qualifier": null,
"parent_flow_object_id": null
}