Chemical Properties of 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide

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)

InChI Key

VHOGYURTWQBHIL-UHFFFAOYSA-N

Formula

C12H9F3N2O2

SMILES

Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1

Molecular Weight¹

270.21

Other Names

• Leflunomide

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Enhancement of dissolution behavior of antiarthritic drug leflunomide using solid dispersion methods
• McGowan Method

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