N-[(2-fluorophenyl)methyl]-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 328802
• Molecular Formular: C20H24FN3O3
• Molecular Mass: 373.4212632
• Monoisotopic Mass: 373.18016986
• SMILES: c1(C(=O)N2CC(CCC(=O)NCc3c(F)cccc3)CCC2)ncoc1C
• Canonical SMILES: O=C(NCc1ccccc1F)CCC1CCCN(C1)C(=O)c1ncoc1C
• InChI: InChI=1S/C20H24FN3O3/c1-14-19(23-13-27-14)20(26)24-10-4-5-15(12-24)8-9-18(25)22-11-16-6-2-3-7-17(16)21/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,22,25)
• InChIKey: HLUUWGXCWUAQAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-(2-fluorobenzyl)-3-{1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]piperidin-3-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.276832
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8666842
• LogD (pH = 7.4): 1.8666842
• Log P: 1.8666843
• Molar Refractivity: 99.4458 cm^3
• Polarizability: 37.291286 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.5
• LOG S: -2.35
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6