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

• ChemBase ID: 660504
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: C(=O)(c1ocnc1)N(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1
• Canonical SMILES: O=C(c1ocnc1)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C22H30N4O2/c27-22(21-13-24-17-28-21)26(14-18-6-4-10-23-12-18)16-19-7-5-11-25(15-19)20-8-2-1-3-9-20/h4,6,10,12-13,17,19-20H,1-3,5,7-9,11,14-16H2
• InChIKey: NBDGMPTUNUMSND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5421898
• LogD (pH = 7.4): -0.45916882
• Log P: 1.9681655
• Molar Refractivity: 109.1569 cm^3
• Polarizability: 41.851864 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -1.98
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6