2-(dimethyl-1,2-oxazol-4-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide

• ChemBase ID: 570281
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: c1(c(onc1C)C)CC(=O)NC1CN(Cc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(Cc1c(C)noc1C)NC1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C19H24FN3O2/c1-13-17(14(2)25-22-13)10-19(24)21-16-7-5-9-23(12-16)11-15-6-3-4-8-18(15)20/h3-4,6,8,16H,5,7,9-12H2,1-2H3,(H,21,24)
• InChIKey: LHBVKHDRAAXONY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide
• Synonyms: 2-(3,5-dimethyl-4-isoxazolyl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.499392
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37300807
• LogD (pH = 7.4): 1.8623224
• Log P: 2.0745885
• Molar Refractivity: 95.327 cm^3
• Polarizability: 35.843464 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -3.35
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5