N-[3-(5-methyl-4-{[(2,4,5-trifluorophenyl)formamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide

• ChemBase ID: 353050
• Molecular Formular: C24H17F3N4O3
• Molecular Mass: 466.4119896
• Monoisotopic Mass: 466.12527508
• SMILES: n1c(oc(c1CNC(=O)c1c(cc(c(c1)F)F)F)C)c1cc(NC(=O)c2ncccc2)ccc1
• Canonical SMILES: Cc1oc(nc1CNC(=O)c1cc(F)c(cc1F)F)c1cccc(c1)NC(=O)c1ccccn1
• InChI: InChI=1S/C24H17F3N4O3/c1-13-21(12-29-22(32)16-10-18(26)19(27)11-17(16)25)31-24(34-13)14-5-4-6-15(9-14)30-23(33)20-7-2-3-8-28-20/h2-11H,12H2,1H3,(H,29,32)(H,30,33)
• InChIKey: FDCHCTOMJSATAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-methyl-4-{[(2,4,5-trifluorophenyl)formamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide
• IUPAC Traditional name: N-[3-(5-methyl-4-{[(2,4,5-trifluorophenyl)formamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide
• Synonyms: N-[3-(5-methyl-4-{[(2,4,5-trifluorobenzoyl)amino]methyl}-1,3-oxazol-2-yl)phenyl]-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.778414
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.7078898
• LogD (pH = 7.4): 3.7078817
• Log P: 3.7078986
• Molar Refractivity: 128.738 cm^3
• Polarizability: 43.475895 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.23
• LOG S: -7.42
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 6