<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">280385</id>
  <title nil="true"/>
  <common-name>1-(2-methylphenyl)-3-(1,3-oxazol-2-yl)urea</common-name>
  <description>1-(2-methylphenyl)-3-(1,3-oxazol-2-yl)urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C11H11N3O2 and an average molecular weight of 217.22 g/mol.</description>
  <cas>35629-52-8</cas>
  <pubchem-id>118851</pubchem-id>
  <chemical-formula>C11H11N3O2</chemical-formula>
  <weight>217.22</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-26T20:24:18Z</created-at>
  <updated-at type="dateTime">2026-08-26T20:24:18Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=CC=CC=C1NC(=O)NC2=NC=CO2</moldb-smiles>
  <moldb-formula>C11H11N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H11N3O2/c1-8-4-2-3-5-9(8)13-10(15)14-11-12-6-7-16-11/h2-7H,1H3,(H2,12,13,14,15)</moldb-inchi>
  <moldb-inchikey>ISVQQJRVLCFYMV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">217.0851266</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM276278</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-(2-methylphenyl)-3-(1,3-oxazol-2-yl)urea</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0060244</sync-id>
  <structure-inchikey>ISVQQJRVLCFYMV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000002000000000000000000000000000000000000000000200000000000000000000000002000000800000000000000000000000001000000000000000400000000000000000020a00000000000000000000000000400001000010000400000000000000000000000000000000000000000000000000000000040000000800000000000000080000000000100000080400000000000008040000000000000000000080100000000000000080000000000000000000000000000000000000000000000000000000000008000002000000200000000000000008000000000002040000000000400000000000000000401000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME
BwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQZAKAAAAAMEB0Ao
AAAAAwMGQGgAAAADAwEGQGgAAAADAwEIQCgAAAADAgsAAQABAmgMAgNoDAME
aAwEBWgMBQZoDAYHIAcIIAgJKAIICiAKCyALDGgMDA1oDA0OaAwOD2gMBgFo
DA8LaAxCAgAAAAYBBgUEAwIFDAsPDg0XBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:55:40Z</structure-indexed-at>
</compound>
