isoxaben (CHEBI:63956)

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ChEBI Name	isoxaben

ChEBI ID	CHEBI:63956

Definition	A benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H24N2O4

Net Charge

Average Mass

332.39420

Monoisotopic Mass

332.17361

InChI

InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)

InChIKey

PMHURSZHKKJGBM-UHFFFAOYSA-N

SMILES

CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1

Roles Classification
Biological Role(s):	cellulose synthesis inhibitor An pathway inhibitor that inhibits the synthesis of cellulose.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	isoxaben (CHEBI:63956) has role cellulose synthesis inhibitor (CHEBI:63958) isoxaben (CHEBI:63956) has role herbicide (CHEBI:24527) isoxaben (CHEBI:63956) is a benzamides (CHEBI:22702) isoxaben (CHEBI:63956) is a isoxazoles (CHEBI:55373)

IUPAC Name

2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide

Synonyms	Sources
2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide	ChemIDplus
N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide	ChemIDplus

Last Modified

20 February 2012