N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}-1-phenylmethanesulfonamide

• ChemBase ID: 673757
• Molecular Formular: C18H23N3O4S
• Molecular Mass: 377.45792
• Monoisotopic Mass: 377.14092723
• SMILES: c1(C(=O)N2CC(CNS(=O)(=O)Cc3ccccc3)CCC2)c(nco1)C
• Canonical SMILES: O=C(c1ocnc1C)N1CCCC(C1)CNS(=O)(=O)Cc1ccccc1
• InChI: InChI=1S/C18H23N3O4S/c1-14-17(25-13-19-14)18(22)21-9-5-8-16(11-21)10-20-26(23,24)12-15-6-3-2-4-7-15/h2-4,6-7,13,16,20H,5,8-12H2,1H3
• InChIKey: FZRAFJHGWUPUBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.609782
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1683808
• LogD (pH = 7.4): 0.16814665
• Log P: 0.16838394
• Molar Refractivity: 97.9904 cm^3
• Polarizability: 38.04252 Å^3
• Polar Surface Area: 92.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.22
• LOG S: -3.92
• Polar Surface Area: 92.51 Å^2
• Rotatable Bonds: 5