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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9F3N2O2
Molecular Weight 270.2073
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide

SMILES

CC1=NOC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChIKey=SNUBGILHVSSQAY-UHFFFAOYSA-N
InChI=1S/C12H9F3N2O2/c1-7-10(6-19-17-7)11(18)16-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18)

HIDE SMILES / InChI

Molecular Formula C12H9F3N2O2
Molecular Weight 270.2073
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 Mon Mar 31 20:39:42 GMT 2025
Edited
by admin
on Mon Mar 31 20:39:42 GMT 2025
Record UNII
1L493ZB2GU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
Systematic Name English
LEFLUNOMIDE IMPURITY E [EP IMPURITY]
Preferred Name English
4-ISOXAZOLECARBOXAMIDE, 3-METHYL-N-(4-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
1L493ZB2GU
Created by admin on Mon Mar 31 20:39:42 GMT 2025 , Edited by admin on Mon Mar 31 20:39:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID00174957
Created by admin on Mon Mar 31 20:39:42 GMT 2025 , Edited by admin on Mon Mar 31 20:39:42 GMT 2025
PRIMARY
CAS
208401-20-1
Created by admin on Mon Mar 31 20:39:42 GMT 2025 , Edited by admin on Mon Mar 31 20:39:42 GMT 2025
PRIMARY
PUBCHEM
9860220
Created by admin on Mon Mar 31 20:39:42 GMT 2025 , Edited by admin on Mon Mar 31 20:39:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY