N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 334547
• Molecular Formular: C23H32N4O2
• Molecular Mass: 396.52578
• Monoisotopic Mass: 396.25252628
• SMILES: c1(C(=O)N(Cc2cnccc2)CC2CCN(CC2)C2CCCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H32N4O2/c1-2-21-22(25-17-29-21)23(28)27(16-19-6-5-11-24-14-19)15-18-9-12-26(13-10-18)20-7-3-4-8-20/h5-6,11,14,17-18,20H,2-4,7-10,12-13,15-16H2,1H3
• InChIKey: TUACJCMBKQJYIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.85685265
• LogD (pH = 7.4): 0.16838486
• Log P: 2.6699731
• Molar Refractivity: 114.0789 cm^3
• Polarizability: 43.616405 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.98
• LOG S: -2.48
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7