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CHEBI:61229 - 2-benzyl-4-hydroxymethylene-5-oxazolone

ChEBI IDCHEBI:61229
ChEBI Name2-benzyl-4-hydroxymethylene-5-oxazolone
Stars
DefinitionA 1,3-oxazole having benzyl, hydroxymethylene and oxo groups at positions 2, 4 and 5 respectively.
Last Modified4 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC11H9NO3
Net Charge0
Average Mass203.197
Monoisotopic Mass203.05824
SMILES[H]C(O)=C1N=C(Cc2ccccc2)OC1=O
InChIInChI=1S/C11H9NO3/c13-7-9-11(14)15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKeyAPRNUCCTXLELPY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-benzyl-4-hydroxymethylene-5-oxazolone (CHEBI:61229) is a 1,3-oxazoles (CHEBI:46812)
2-benzyl-4-hydroxymethylene-5-oxazolone (CHEBI:61229) is a γ-lactone (CHEBI:37581)
2-benzyl-4-hydroxymethylene-5-oxazolone (CHEBI:61229) is conjugate acid of 2-benzyl-4-oxidomethylene-5-oxazolone(1−) (CHEBI:61228)
Incoming Relation(s)
2-benzyl-4-oxidomethylene-5-oxazolone(1−) (CHEBI:61228) is conjugate base of 2-benzyl-4-hydroxymethylene-5-oxazolone (CHEBI:61229)
IUPAC Name 
2-benzyl-4-(hydroxymethylene)-1,3-oxazol-5(4H)-one
Registry NumbersSources
Reaxys:8764391Reaxys