<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344313</id>
  <title nil="true"/>
  <common-name>N-[(e)-2-(3-ethyl-4,5-diphenyl-1,3-oxazol-3-ium-2-yl)ethenyl]-n-methylaniline</common-name>
  <description>N-[(e)-2-(3-ethyl-4,5-diphenyl-1,3-oxazol-3-ium-2-yl)ethenyl]-n-methylaniline is a compound with the formula C26H25N2O+. It has an average molecular weight of 381.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>2189332</pubchem-id>
  <chemical-formula>C26H25N2O+</chemical-formula>
  <weight>381.5</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">2026-08-31T06:12:07Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:12:07Z</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[N+]1=C(OC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C=CN(C)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C26H25N2O+</moldb-formula>
  <moldb-inchi>InChI=1S/C26H25N2O/c1-3-28-24(19-20-27(2)23-17-11-6-12-18-23)29-26(22-15-9-5-10-16-22)25(28)21-13-7-4-8-14-21/h4-20H,3H2,1-2H3/q+1</moldb-inchi>
  <moldb-inchikey>PHUCBKLPJDQXKN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">381.1966884</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.2</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>CHEM340206</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-[(e)-2-(3-ethyl-4,5-diphenyl-1,3-oxazol-3-ium-2-yl)ethenyl]-n-methylaniline</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>Azoles</klass>
  <subklass>Oxazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294685</sync-id>
  <structure-inchikey>PHUCBKLPJDQXKN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000800000000000082000000000000000000000204000000000000000001010000000000000000000000000000000000100000000000800000000200000000008000400000000200000000001000000000004000000000000000000000000000000000000000000040000000808000000000000000900000010140000000000000000000000000000000000400000000080000000000000800000000000000000000000000000000000000000800000000000000000100000000000002000200000080002000000000000000000040000000200040000001000000000000000000080000</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��������h��������h��������(�������`������@(������@h�������@h�������@h�������@h�������@h���������������h���h���h���h��� ��h��	h�	
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��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:37Z</structure-indexed-at>
</compound>
