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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14ClN3O2
Molecular Weight 267.711
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-AMINO-2-CHLOROPHENYL)-5-TERT-BUTYL-1,3,4-OXADIAZOL-2-ONE

SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=CC=C(N)C=C2Cl

InChI

InChIKey=VDVSMECTBFVDFQ-UHFFFAOYSA-N
InChI=1S/C12H14ClN3O2/c1-12(2,3)10-15-16(11(17)18-10)9-5-4-7(14)6-8(9)13/h4-6H,14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H14ClN3O2
Molecular Weight 267.711
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 Wed Apr 02 09:24:07 GMT 2025
Edited
by admin
on Wed Apr 02 09:24:07 GMT 2025
Record UNII
KQY2J46UC9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-AMINO-2-CHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-1,3,4-OXADIAZOL-2(3H)-ONE
Preferred Name English
3-(4-AMINO-2-CHLOROPHENYL)-5-TERT-BUTYL-1,3,4-OXADIAZOL-2-ONE
Systematic Name English
1,3,4-OXADIAZOL-2(3H)-ONE, 3-(4-AMINO-2-CHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11970462
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-615-5
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID70185318
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
CAS
31399-84-5
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
FDA UNII
KQY2J46UC9
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY