U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N2O3
Molecular Weight 168.15
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-7,8-DIHYDROISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE

SMILES

CC1=NOC2=C1NC(=O)OCC2

InChI

InChIKey=LKQZEUSXEROTKP-UHFFFAOYSA-N
InChI=1S/C7H8N2O3/c1-4-6-5(12-9-4)2-3-11-7(10)8-6/h2-3H2,1H3,(H,8,10)

HIDE SMILES / InChI

Molecular Formula C7H8N2O3
Molecular Weight 168.15
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 19:56:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:56:42 GMT 2025
Record UNII
6KN5IT0EX4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-7,8-DIHYDROISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE
Systematic Name English
NSC-353676
Preferred Name English
7,8-DIHYDRO-3-METHYLISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE
Systematic Name English
ISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE, 7,8-DIHYDRO-3-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
6KN5IT0EX4
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID20228582
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
NSC
353676
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
CAS
77931-63-6
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
PUBCHEM
337056
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY