<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277939</id>
  <title nil="true"/>
  <common-name>N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine</common-name>
  <description>N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the chemical formula C10H12N2OS and an average molecular weight of 208.28 g/mol.</description>
  <cas>102583-77-7</cas>
  <pubchem-id>59559</pubchem-id>
  <chemical-formula>C10H12N2OS</chemical-formula>
  <weight>208.28</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">2026-08-26T17:51:02Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:51:02Z</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>CSC1=CC=CC(=C1)NC2=NCCO2</moldb-smiles>
  <moldb-formula>C10H12N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12N2OS/c1-14-9-4-2-3-8(7-9)12-10-11-5-6-13-10/h2-4,7H,5-6H2,1H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>PGERESVFZXINFY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">208.0670342</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM273832</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>N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine</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>Organosulfur compounds</superklass>
  <klass>Thioethers</klass>
  <subklass>Aryl thioethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230053</sync-id>
  <structure-inchikey>PGERESVFZXINFY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000000800000000020000000100000000000000000000000000000040004000000000002000200000000000400000000000100000000000000000000000000000000000000000800000000001010040000000000000000000001000000008000000104000000000020000020000000000000000000001000040000000800000000000000080000000000000000020010000000000000000000000000000000000080000000002000000000000400000000040020000000000000000000000000000000000000000000000001000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� �����@(������@h�������@h�������@h�������@(������@h��������h��������(�������(�������`�������`�������(��������������h���h���h���h���h��� �	 	
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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:53:36Z</structure-indexed-at>
</compound>
