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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11ClN2O3
Molecular Weight 254.67
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-CHLOROETHYL)-2-(2-HYDROXYPHENYL)-4H-1,3,4-OXADIAZIN-5(6H)-ONE

SMILES

OC1=CC=CC=C1C2=NN(CCCl)C(=O)CO2

InChI

InChIKey=CYECAWLYDALKTP-UHFFFAOYSA-N
InChI=1S/C11H11ClN2O3/c12-5-6-14-10(16)7-17-11(13-14)8-3-1-2-4-9(8)15/h1-4,15H,5-7H2

HIDE SMILES / InChI

Molecular Formula C11H11ClN2O3
Molecular Weight 254.67
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 19:48:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:48:25 GMT 2025
Record UNII
D8QM44EE85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-CHLOROETHYL)-2-(2-HYDROXYPHENYL)-4H-1,3,4-OXADIAZIN-5(6H)-ONE
Systematic Name English
NSC-296333
Preferred Name English
4H-1,3,4-Oxadiazin-5(6H)-one, 4-(2-chloroethyl)-2-(2-hydroxyphenyl)-
Systematic Name English
4-(2-chloroethyl)-2-(2-hydroxyphenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one
Systematic Name English
Code System Code Type Description
PUBCHEM
326152
Created by admin on Tue Apr 01 19:48:25 GMT 2025 , Edited by admin on Tue Apr 01 19:48:25 GMT 2025
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FDA UNII
D8QM44EE85
Created by admin on Tue Apr 01 19:48:25 GMT 2025 , Edited by admin on Tue Apr 01 19:48:25 GMT 2025
PRIMARY
CAS
53995-34-9
Created by admin on Tue Apr 01 19:48:25 GMT 2025 , Edited by admin on Tue Apr 01 19:48:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID40968812
Created by admin on Tue Apr 01 19:48:25 GMT 2025 , Edited by admin on Tue Apr 01 19:48:25 GMT 2025
PRIMARY
NSC
296333
Created by admin on Tue Apr 01 19:48:25 GMT 2025 , Edited by admin on Tue Apr 01 19:48:25 GMT 2025
PRIMARY