1-{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methylpiperidine

• ChemBase ID: 465520
• Molecular Formular: C17H20F2N2O
• Molecular Mass: 306.3503064
• Monoisotopic Mass: 306.15436971
• SMILES: n1c(c(oc1c1cc(cc(c1)F)F)C)CN1C(C)CCCC1
• Canonical SMILES: Fc1cc(F)cc(c1)c1nc(c(o1)C)CN1CCCCC1C
• InChI: InChI=1S/C17H20F2N2O/c1-11-5-3-4-6-21(11)10-16-12(2)22-17(20-16)13-7-14(18)9-15(19)8-13/h7-9,11H,3-6,10H2,1-2H3
• InChIKey: DZVOFAQCJLBKHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methylpiperidine
• IUPAC Traditional name: 1-{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methylpiperidine
• Synonyms: 1-{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1053452
• LogD (pH = 7.4): 2.8791924
• Log P: 3.7146823
• Molar Refractivity: 92.0328 cm^3
• Polarizability: 31.368126 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.99
• LOG S: -3.81
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 3