5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide (CHEBI:183329)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide

ChEBI ID	CHEBI:183329

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N2O3

Net Charge

Average Mass

262.309

Monoisotopic Mass

262.13174

InChI

InChI=1S/C14H18N2O3/c1-8-6-12(16-19-8)15-13(17)10-7-11(14(3,4)5)18-9(10)2/h6-7H,1-5H3,(H,15,16,17)

InChIKey

PWZOFJUSZGILSP-UHFFFAOYSA-N

SMILES

O1C(C(C)(C)C)=CC(=C1C)C(=O)NC2=NOC(=C2)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide (CHEBI:183329) has functional parent 3-furoic acid (CHEBI:30846) 5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide (CHEBI:183329) is a furoic acid (CHEBI:36055)

IUPAC Name

5-tert-butyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)uran-3-carboxamide