5-CHLORO-3-(3,5-DIMETHYL-4-ISOXAZOLYL)-2,1-BENZISOXAZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H9ClN2O2
Molecular Weight	248.665
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CHLORO-3-(3,5-DIMETHYL-4-ISOXAZOLYL)-2,1-BENZISOXAZOLE

Structure Search

SMILES

CC1=C(C(C)=NO1)C2=C3C=C(Cl)C=CC3=NO2

InChI

InChIKey=QWKSSDZTONOIFP-UHFFFAOYSA-N

InChI=1S/C12H9ClN2O2/c1-6-11(7(2)16-14-6)12-9-5-8(13)3-4-10(9)15-17-12/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H9ClN2O2
Molecular Weight	248.665
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:03:31 GMT 2025` Edited by `admin` on `Tue Apr 01 20:03:31 GMT 2025`
Record UNII	Z9TTN79U4V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-CHLORO-3-(3,5-DIMETHYL-4-ISOXAZOLYL)-2,1-BENZISOXAZOLE

Systematic Name

English

NSC-285228

Preferred Name

English

5-Chloro-3-(3,5-dimethylisoxazol-4-yl)benzo[c]isoxazole

Systematic Name

English

2,1-Benzisoxazole, 5-chloro-3-(3,5-dimethyl-4-isoxazolyl)-

Systematic Name

English

Code System Code Type Description

CAS

60467-25-6

Created by admin on Tue Apr 01 20:03:31 GMT 2025 , Edited by admin on Tue Apr 01 20:03:31 GMT 2025

PRIMARY

PUBCHEM

323612

Created by admin on Tue Apr 01 20:03:31 GMT 2025 , Edited by admin on Tue Apr 01 20:03:31 GMT 2025

PRIMARY

NSC

285228

Created by admin on Tue Apr 01 20:03:31 GMT 2025 , Edited by admin on Tue Apr 01 20:03:31 GMT 2025

PRIMARY

FDA UNII

Z9TTN79U4V

Created by admin on Tue Apr 01 20:03:31 GMT 2025 , Edited by admin on Tue Apr 01 20:03:31 GMT 2025

PRIMARY

EPA CompTox

DTXSID10209209

Created by admin on Tue Apr 01 20:03:31 GMT 2025 , Edited by admin on Tue Apr 01 20:03:31 GMT 2025

PRIMARY