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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:59:58 UTC
Update Date2025-03-24 14:09:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00770419
Frequency2.0
Structure
Chemical FormulaC5H8N2O
Molecular Mass112.0637
SMILESCNc1ncc(C)o1
InChI KeyLCGRVXMZJRZUIF-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • 2,5-disubstituted 1,3-oxazole
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine