pyrisoxazole (CHEBI:83823)

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ChEBI Name	pyrisoxazole

ChEBI ID	CHEBI:83823

Definition	A diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops.

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

Supplier Information

Download	Molfile XML SDF

Formula

C16H17ClN2O

Net Charge

Average Mass

288.77200

Monoisotopic Mass

288.10294

InChI

InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15?,16-/m1/s1

InChIKey

DHTJFQWHCVTNRY-OEMAIJDKSA-N

SMILES

CN1OC(C[C@]1(C)c1cccnc1)c1ccc(Cl)cc1

Roles Classification
Biological Role(s):	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase). antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

ChEBI Ontology
Outgoing	pyrisoxazole (CHEBI:83823) has part (3R,5R)-pyrisoxazole (CHEBI:83826) pyrisoxazole (CHEBI:83823) has part (3R,5S)-pyrisoxazole (CHEBI:83827) pyrisoxazole (CHEBI:83823) has role antifungal agrochemical (CHEBI:86328) pyrisoxazole (CHEBI:83823) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) pyrisoxazole (CHEBI:83823) is a diastereoisomeric mixture (CHEBI:60915)

IUPAC Name

3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine

Synonym	Source
Dingjunezuo	ChemIDplus

Last Modified

14 March 2024