<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">318648</id>
  <title nil="true"/>
  <common-name>3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one</common-name>
  <description>3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is a chemical compound with the formula C19H23NO3. It has an average molecular weight of 313.40 g/mol.</description>
  <cas>79039-08-0</cas>
  <pubchem-id>3061373</pubchem-id>
  <chemical-formula>C19H23NO3</chemical-formula>
  <weight>313.4</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">2026-08-29T16:59:04Z</created-at>
  <updated-at type="dateTime">2026-08-29T16:59:04Z</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>COCC1CN(C(=O)O1)C2=CC=C(C=C2)C#CC3CCCCC3</moldb-smiles>
  <moldb-formula>C19H23NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C19H23NO3/c1-22-14-18-13-20(19(21)23-18)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h9-12,15,18H,2-6,13-14H2,1H3</moldb-inchi>
  <moldb-inchikey>RLASHAGLKSPKCV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">313.1677936</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM314541</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>3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-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>Organoheterocyclic compounds</superklass>
  <klass>Azolidines</klass>
  <subklass>Oxazolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0269442</sync-id>
  <structure-inchikey>RLASHAGLKSPKCV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800002000000000000000000000000000010004000000008000000000020000000000000000000000100000200000000000000000000000000000000000000000002800000000030800020000100000000001002000002000000000000000040000000000020000000020100000000000000000400100800000040000000000000000080880000002000000000020000000000000000000000000004000000000000080100000000000000004000000000000000000000000000000000000000004000000000000000000000000000000200000000000000000040000400000040000000000000000000208000000000040000000000</structure-fingerprint>
  <structure-pattern-fingerprint>541000000912064080000940010820003000040805052000103520400200480c4002005000800001000241080080000004300025408c34210020643000a04000c6110c08129004000090100040620200000405805101113240020422000349000c28052600c002002000040055340000200280500101e0045118022002710002404400980ef0820808020240082c0008111c4856440014820004080000400084004310001010c00000000844017d25100ac00000894108401800028008c00212001000c404400032018000000401028004000200020050200d0000040800030010004a100001008002000000401220040010003080c2800e0008018050000402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������(�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`�������`�������`�������`�������`�������`����������������������� ��(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:24:09Z</structure-indexed-at>
</compound>
