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

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ChEBI Name	4-(ethoxymethylene)-2-phenyloxazol-5-one

ChEBI ID	CHEBI:53076

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H11NO3

Net Charge

Average Mass

217.22060

Monoisotopic Mass

217.07389

InChI

InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey

SJHPCNCNNSSLPL-UHFFFAOYSA-N

SMILES

[H]C(OCC)=C1N=C(OC1=O)c1ccccc1

Roles Classification
Biological Role(s):	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	4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) has role allergen (CHEBI:50904) 4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) is a γ-lactone (CHEBI:37581) 4-(ethoxymethylene)-2-phenyloxazol-5-one (CHEBI:53076) is a 1,3-oxazoles (CHEBI:46812)

IUPAC Name

4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5(4H)-one

Synonyms	Sources
2-phenyl-4-(ethoxymethylene)-5(4H)-oxazolone	ChEBI
2-phenyl-4-ethoxymethylene-5(4H)-oxazolone	ChEBI
2-phenyl-4-ethoxymethylene-5-oxazolone	ChEBI
2-phenyl-oxazolone	ChEBI
4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one	ChEBI
4-Ethoxymethylene-2-phenyl-2-oxazoline-5-one	ChemIDplus
4-ethoxymethylene-2-phenyl-4H-1,3-oxazol-5-one	ChEBI
EtOX	ChEBI
OXA	ChEBI
oxazolone	ChEBI
phenyl Ox	ChEBI
phOx	ChEBI
PhOx	ChEBI
pxazolone	ChEBI

Last Modified

26 September 2017