N-[2-(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-2-yl)ethyl]acetamide

• ChemBase ID: 693616
• Molecular Formular: C26H31N3O2
• Molecular Mass: 417.54324
• Monoisotopic Mass: 417.24162725
• SMILES: n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN1C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1Cc1nc(oc1C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H31N3O2/c1-19-25(18-29-17-7-6-10-24(29)15-16-27-20(2)30)28-26(31-19)23-13-11-22(12-14-23)21-8-4-3-5-9-21/h3-5,8-9,11-14,24H,6-7,10,15-18H2,1-2H3,(H,27,30)
• InChIKey: GLBFPGIAYRBDLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-2-yl)ethyl]acetamide
• Synonyms: N-[2-(1-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-piperidinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.622796
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2920219
• LogD (pH = 7.4): 3.0604596
• Log P: 3.8015184
• Molar Refractivity: 134.2466 cm^3
• Polarizability: 49.771263 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.5
• LOG S: -4.75
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7