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CHEBI:53076 - 4-(ethoxymethylene)-2-phenyloxazol-5-one

ChEBI IDCHEBI:53076
ChEBI Name4-(ethoxymethylene)-2-phenyloxazol-5-one
Stars
DefinitionA 1,3-oxazole compound having a phenyl substituent at the 2-position, an ethoxymethylene group at the 4-position, and an oxo group at the 5-position. It is a chemical allergen used for immunological experiments, particularly for experiments on delayed type hypersensitivity.
Last Modified26 September 2017
SubmitterSteve
DownloadsMolfile
FormulaC12H11NO3
Net Charge0
Average Mass217.224
Monoisotopic Mass217.07389
SMILES[H]C(OCC)=C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySJHPCNCNNSSLPL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) has role allergen (CHEBI:50904)
4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) is a 1,3-oxazoles (CHEBI:46812)
4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) is a γ-lactone (CHEBI:37581)
IUPAC Name 
4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5(4H)-one
Synonyms  Source
oxazoloneChEBI
4-Ethoxymethylene-2-phenyl-2-oxazoline-5-oneChemIDplus
OXAChEBI
phenyl OxChEBI
2-phenyl-4-ethoxymethylene-5-oxazoloneChEBI
2-phenyl-oxazoloneChEBI
Manual XrefsDatabases
OxazoloneWikipedia
Registry NumbersSources
Reaxys:163055Reaxys
CAS:15646-46-5ChemIDplus
Citations