<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292456</id>
  <title nil="true"/>
  <common-name>2-(2-hexoxyphenyl)-1,3,4-oxadiazole</common-name>
  <description>2-(2-hexoxyphenyl)-1,3,4-oxadiazole belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H18N2O2 and an average molecular weight of 246.30 g/mol.</description>
  <cas>401819-90-7</cas>
  <pubchem-id>3365508</pubchem-id>
  <chemical-formula>C14H18N2O2</chemical-formula>
  <weight>246.3</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">2026-08-28T07:44:50Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:44:50Z</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>CCCCCCOC1=CC=CC=C1C2=NN=CO2</moldb-smiles>
  <moldb-formula>C14H18N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H18N2O2/c1-2-3-4-7-10-17-13-9-6-5-8-12(13)14-16-15-11-18-14/h5-6,8-9,11H,2-4,7,10H2,1H3</moldb-inchi>
  <moldb-inchikey>LNJJWHZDRMRJDO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">246.1368278</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM288349</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-hexoxyphenyl)-1,3,4-oxadiazole</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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244015</sync-id>
  <structure-inchikey>LNJJWHZDRMRJDO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>140000200000000000800000000000000000000000000000000000000000000000004002000000000000008010002000000000000000000000000000000000000000000000000000010000000000000000800000000100000000000000000000000020000010000000000000000000000000000000000000004080000000000000010040000000800000000000010000080001000100000000400040000000000000000000000000000000080000002000000008080000000000000006000000000000000000000000000000000000000000000000020000000200000000000000000000000000000040000000010000000000000020000000000000000000</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-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:38Z</structure-indexed-at>
</compound>
