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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:35 UTC
Update Date2025-03-25 00:55:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214268
Frequency0.5
Structure
Chemical FormulaC9H12N2O2
Molecular Mass180.0899
SMILESCCc1ncc(C2CCC(=O)N2)o1
InChI KeyXQXZZJQPMYPRCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass oxazoles
Direct Parent 2,5-disubstituted oxazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • 2,5-disubstituted 1,3-oxazole
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound