1.0 2016-05-22 03:42:43 UTC 2026-08-18 22:06:30 UTC Leflunomide SmallMolecule Leflunomide is an organic compound with the formula C12H9F3N2O2 and an average molecular weight of 270.21 g/mol. Leflunomide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is recorded as being found in or released from 14 sources, including healthcare, pharmaceuticals & veterinary products (immunosuppressants), food, food processing & cookware (food preservation, processing meats), household cleaning & consumer products (cigar cigarettes, non electric simulated smoking devices, other smoking requisites, tobacco smoke filters), and electrical & electronic equipment (electric hearing aids, electric switches, electrically stimulated smoking devices, electrodes, hybrid capacitors, and 2 more). Exposure routes for this compound are recorded as topical and oral. At the molecular level, leflunomide acts on four recorded protein targets as an agonist, antagonist, or inhibitor, specifically targeting the aryl hydrocarbon receptor (AHR), protein-tyrosine kinase 2-beta (PTK2B), and dihydroorotate dehydrogenase (quinone), mitochondrial (DHODH). In terms of health effects, the compound is used as a treatment for rheumatoid arthritis (PMC8933701) and psoriasis (PMC4893110). Human Neurotoxin 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide Leflunomid C12H9F3N2O2 270.2073 270.061612157 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide leflunomide 75706-12-6 CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F 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) VHOGYURTWQBHIL-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Anilides Aromatic anilides Alkyl fluorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Trifluoromethylbenzenes Alkyl fluoride Alkyl halide Aromatic anilide Aromatic heteromonocyclic compound Azacycle Azole Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Isoxazole Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary carboxylic acid amide Trifluoromethylbenzene Aromatic heteromonocyclic compounds (trifluoromethyl)benzenes isoxazoles monocarboxylic acid amide Detected and Not Quantified Leflunomide Drug Metabolism Action Pathway SMP0143519 logp 2.51 logp 2.52 ALOGPS logs -3.51 ALOGPS solubility 8.44e-02 g/l ALOGPS logp 2.51 ChemAxon pka_strongest_acidic 10.41 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide ChemAxon average_mass 270.2073 ChemAxon mono_mass 270.061612157 ChemAxon smiles CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F ChemAxon formula C12H9F3N2O2 ChemAxon inchi 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) ChemAxon inchikey VHOGYURTWQBHIL-UHFFFAOYSA-N ChemAxon polar_surface_area 55.13 ChemAxon refractivity 64.16 ChemAxon polarizability 23.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267bc69a8> DB01097 3899 3762 BE0000382 BE0003721 BE0000871 BE0000612