<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342421</id>
  <title nil="true"/>
  <common-name>[3-[4-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone</common-name>
  <description>[3-[4-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is a chemical compound with the formula C25H28N4O6. It has an average molecular weight of 480.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>131801215</pubchem-id>
  <chemical-formula>C25H28N4O6</chemical-formula>
  <weight>480.5</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">2026-08-31T03:22:02Z</created-at>
  <updated-at type="dateTime">2026-08-31T03:22:02Z</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>COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC(C5)(CO)CO</moldb-smiles>
  <moldb-formula>C25H28N4O6</moldb-formula>
  <moldb-inchi>InChI=1S/C25H28N4O6/c1-33-19-8-4-18(5-9-19)22-26-27-23(35-22)24(32)29-11-21(12-29)34-20-6-2-17(3-7-20)10-28-13-25(14-28,15-30)16-31/h2-9,21,30-31H,10-16H2,1H3</moldb-inchi>
  <moldb-inchikey>OTFLAJNTHVWZOG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">480.2008846</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM338314</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-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone</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>Phenylmethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292812</sync-id>
  <structure-inchikey>OTFLAJNTHVWZOG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100001800000000102000000000000000080000002000000000000000000000200200000000000002000000000000000000000000000000020000802001000000000000020000000000020800000000100000280001000000000040000010000010040000000000080800000020100000000000000000000100000010048000000000000000000000000880000000000000000000000000000000000000020000400000000088000000400000000008000000000008000000080000000000000000800000000000000000010000800000000000220041000010000000000000000000040200000000400000000000000000800004000000000</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�	
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���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:42:04Z</structure-indexed-at>
</compound>
