N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

• ChemBase ID: 590331
• Molecular Formular: C24H20F2N4O2
• Molecular Mass: 434.4380064
• Monoisotopic Mass: 434.15543234
• SMILES: n1(c2c(cn1)C(NC(=O)c1c(noc1C)c1ccccc1)CCC2)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(F)cc(c1)n1ncc2c1CCCC2NC(=O)c1c(C)onc1c1ccccc1
• InChI: InChI=1S/C24H20F2N4O2/c1-14-22(23(29-32-14)15-6-3-2-4-7-15)24(31)28-20-8-5-9-21-19(20)13-27-30(21)18-11-16(25)10-17(26)12-18/h2-4,6-7,10-13,20H,5,8-9H2,1H3,(H,28,31)
• InChIKey: QJAJMZBAUJKBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• Synonyms: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.843753
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.493245
• LogD (pH = 7.4): 4.4933257
• Log P: 4.4933267
• Molar Refractivity: 117.0094 cm^3
• Polarizability: 44.4214 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.53
• LOG S: -7.13
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4