<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">291337</id>
  <title nil="true"/>
  <common-name>2-(2-methylbut-3-yn-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one</common-name>
  <description>2-(2-methylbut-3-yn-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. It has the chemical formula C14H14N2O2 and an average molecular weight of 242.27 g/mol.</description>
  <cas>32957-03-2</cas>
  <pubchem-id>135400195</pubchem-id>
  <chemical-formula>C14H14N2O2</chemical-formula>
  <weight>242.27</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">2026-08-28T06:00:05Z</created-at>
  <updated-at type="dateTime">2026-08-28T06:00:05Z</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>CC(C)(C#C)N=C1NC(=O)C(O1)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C14H14N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14N2O2/c1-4-14(2,3)16-13-15-12(17)11(18-13)10-8-6-5-7-9-10/h1,5-9,11H,2-3H3,(H,15,16,17)</moldb-inchi>
  <moldb-inchikey>YRCKMRPUIXMLIR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">242.1055277</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM287230</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>2-(2-methylbut-3-yn-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0242911</sync-id>
  <structure-inchikey>YRCKMRPUIXMLIR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000000008000000000000000020000000000000000004800000010000000000002000000000000000000000000000000000000000000020800020000000000004000002000000000000000020000000000000001000000010000000000000020000000000100020000048000000800000200000000200000000000100000000001000000001000000000000000000000000080000000000000000000000000010000000000000000000000000000000010000080001000000000000000000000200000000000000000000400000000040000000000000000000440000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������(�������h��������(�������(�������h��������(�������(�������`�������(������@(������@h�������@h�������@h�������@h�������@h�������������������������(��� �� �	(��
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  <structure-indexed-at type="dateTime">2026-09-19T05:03:43Z</structure-indexed-at>
</compound>
