<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">306008</id>
  <title nil="true"/>
  <common-name>10-nitro-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one</common-name>
  <description>10-nitro-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. It is an organoheterocyclic compound with the formula C17H15N3O4 and an average molecular weight of 325.32 g/mol.</description>
  <cas>24143-26-8</cas>
  <pubchem-id>212325</pubchem-id>
  <chemical-formula>C17H15N3O4</chemical-formula>
  <weight>325.32</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">2026-08-28T23:43:58Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:43:58Z</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>C1COC2(N1CC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C17H15N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15N3O4/c21-16-11-19-8-9-24-17(19,12-4-2-1-3-5-12)14-10-13(20(22)23)6-7-15(14)18-16/h1-7,10H,8-9,11H2,(H,18,21)</moldb-inchi>
  <moldb-inchikey>KGGOWQMSGRLLMV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">325.106256</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM301901</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>10-nitro-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-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>Benzodiazepines</klass>
  <subklass>1,4-benzodiazepines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0257081</sync-id>
  <structure-inchikey>KGGOWQMSGRLLMV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2200000000000000000000000000000000000000000000000000000000000200000000000000000040000000000000000000000000000000000000000080000000000000000001002208000000000000010000000004000080000000000000002000001001000000002000201000200010001000000004000000000080000008000002000000000000000000011000000000000000000200000000000000000000000000800000000000000000000000080000000000000000000002100000000000020000200000000000000000000000082000000000000004200000000200000410000000000000008200010000a0000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������ ������ ������`�������(�������(�������h�������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ���@(������@h�������@h�������@h�������@h�������@h���������������������������(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:40Z</structure-indexed-at>
</compound>
