Molecular Identity
leflunomide
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID: 3899
Leflunomide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. It has a role as an antiparasitic agent, a non-steroidal anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor, a tyrosine kinase inhibitor, a prodrug, a hepatotoxic agent, an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor and a pyrimidine synthesis inhibitor. It is a monocarboxylic acid amide, a member of isoxazoles and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C12H9F3N2O2
Molecular Formula
270.21
Molecular Weight
g/mol
270.0616
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
55.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
327
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
leflunomide75706-12-6AravaLeflunomidaLeflunomidum5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamideHWA-486Repsoleflunomide medacSU101Leflunomide tevaSU-101Leflunomide winthrop5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilideSULOL
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to leflunomide
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