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.

Supplier Information	ChemicalBook:CB0128551, eMolecules:480663, eMolecules:491267

Download	Molfile XML SDF

Wikipedia	License
Manganese(II) chloride is the dichloride salt of manganese, MnCl2. This inorganic chemical exists in the anhydrous form, as well as the dihydrate (MnCl2·2H2O) and tetrahydrate (MnCl2·4H2O), with the tetrahydrate being the most common form. Like many Mn(II) species, these salts are pink, with the paleness of the color being characteristic of transition metal complexes with high spin d5 configurations.
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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