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Chemical substance record

Leflunomide

75706-12-6C12H9F3N2O2270.21 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number75706-12-6ChEBI ↗
Molecular formulaC12H9F3N2O2ChEBI ↗
Molar mass270.21 g/molChEBI ↗
Monoisotopic mass270.06161 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:6402ChEBI ↗

Cross-source molecular data

PubChem
Molar mass270.21 g/molPubChem ↗
Exact mass270.06161202 DaPubChem ↗
Computed XLogP2.5PubChem ↗
Topological polar surface area (Ų)55.1PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors6PubChem ↗
Rotatable bonds2PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
leflunomide
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
VHOGYURTWQBHIL-UHFFFAOYSA-N
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

Names & synonyms

5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamideAravaleflunomidaleflunomidum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
monocarboxylic acid amideChEBI parent class · 29347 ↗isoxazolesChEBI parent class · 55373 ↗(trifluoromethyl)benzenesChEBI parent class · 83565 ↗
organofluorine compoundorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

antiviral agentantiparasitic agentnon-steroidal anti-inflammatory drugantineoplastic agentimmunosuppressive agentantirheumatic drugEC 3.1.3.16 (phosphoprotein phosphatase) inhibitortyrosine kinase inhibitorprodrughepatotoxic agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00370083 mol

Uses 270.21 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 12 atoms
53.34%
F
Fluorine · 3 atoms
21.09%
O
Oxygen · 2 atoms
11.84%
N
Nitrogen · 2 atoms
10.37%
H
Hydrogen · 9 atoms
3.36%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Novel mechanism of inhibition of cytomegalovirus by the experimental immunosuppressive agent leflunomide. ↗Transplantation · 1999 Sep 27 · PMID 10515382
Inhibition of cytomegalovirus in vitro and in vivo by the experimental immunosuppressive agent leflunomide. ↗Intervirology · 1999 · PMID 10702725
DE2854439 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US4284786 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:6402

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 3899 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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