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4-methyl-1,3-oxazole-5-carbonitrile

fo-352a40c4b54ef928

Identity

Type
Neutral molecule
CAS
1003-52-7
EC
213-709-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-methyl-1,3-oxazole-5-carbonitrile

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JZSLPQXOLZCAME-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
IUPAC name chemrof:IUPAC_name 4-methyl-1,3-oxazole-5-carbonitrile
Molecular formula chemrof:molecular_formula C5H4N2O
Molecular mass chemrof:molecular_mass 108.1
Monoisotopic mass chemrof:monoisotopic_mass 108.032363
SMILES string chemrof:smiles_string Cc1ncoc1C#N

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1003-52-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.463 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90143117 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.110D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70480 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q83006810 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8272525b-770d-4937-90de-77c63664d717 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
560d7be0-b6e8-4904-8b2a-38b0f8a7943d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3747aeb5-eaa8-4044-a7c8-71a2d84bfa79 Environmental → Air → Indoor EF 3.1 kg 4
2b8f1e37-dd11-462b-9ed4-a7a9d2542a97 Environmental → Air → Long-term EF 3.1 kg 0
4d8f3dfd-a1a8-47c3-8fb7-b7abfda8e17e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d72ebd9c-436e-4d01-9671-8cec0f633e27 Environmental → Air → Unknown EF 3.1 kg 4
69f9fdf3-c1b6-45a3-8ea9-a205de0ffc09 Environmental → Ground → Agricultural EF 3.1 kg 4
2456355a-333e-4667-a72f-9d22c4cdc576 Environmental → Ground → Non-agricultural EF 3.1 kg 4
99e2dacc-9937-476f-b470-8551d463c02d Environmental → Ground → Unknown EF 3.1 kg 4
8fb8c94d-12f7-4c21-9df8-a46eab35c129 Environmental → Water → Long-term EF 3.1 kg 0
75aa0589-2dd4-4ba9-b52f-31859113aae7 Environmental → Water → Ocean EF 3.1 kg 4
00283646-d1cf-4997-999d-434681568b70 Environmental → Water → Surface water EF 3.1 kg 4
cacb9301-902c-4fd3-9cf4-8c760c879d2f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-352a40c4b54ef928",
  "prefLabel": [
    {
      "@value": "4-methyl-1,3-oxazole-5-carbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Methyl-5-cyanooxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1003-52-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-5-oxazolecarbonitrile",
      "@language": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1003-52-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Cyano-4-methyloxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Oxazolecarbonitrile, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.110D",
      "provenance": {
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1003-52-7]"
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    }
  ],
  "created_from": {
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    "seed_uuid": "00283646-d1cf-4997-999d-434681568b70",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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