<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298310</id>
  <title nil="true"/>
  <common-name>5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>86251</pubchem-id>
  <chemical-formula>C15H22N4O</chemical-formula>
  <weight>274.36</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">2026-08-28T14:41:33Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:41:33Z</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=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N</moldb-smiles>
  <moldb-formula>C15H22N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H22N4O/c1-12-2-4-13(5-3-12)19-8-6-18(7-9-19)11-14-10-17-15(16)20-14/h2-5,14H,6-11H2,1H3,(H2,16,17)</moldb-inchi>
  <moldb-inchikey>XTEZFEOTYNRMGX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">274.1793613</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM294203</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>5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-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>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0249663</sync-id>
  <structure-inchikey>XTEZFEOTYNRMGX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800000000000000000000000000000000000005000000000080000000000000000801000002000000100000000000000000000000000000000020000000000000000000000000000800000010000000000000002000000000000000000000000000000004000000800020100000000000000000000100000000040000000000000000000000000001000000000001000000000000000000000000000000000000000082100040000000000004000008000020800000000000000000020000000000000000000000000000000002000000200000000010000000140000000000040000000000080000000000000000000000000000000</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-indexed-at type="dateTime">2026-09-19T05:08:56Z</structure-indexed-at>
</compound>
