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

• ChemBase ID: 839807
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: c1(C(=O)N(Cc2cnccc2)CC2CCN(CC2)C2CCCC2)ncoc1C
• Canonical SMILES: O=C(c1ncoc1C)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H30N4O2/c1-17-21(24-16-28-17)22(27)26(15-19-5-4-10-23-13-19)14-18-8-11-25(12-9-18)20-6-2-3-7-20/h4-5,10,13,16,18,20H,2-3,6-9,11-12,14-15H2,1H3
• InChIKey: LNIAAANKWQSIES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3793751
• LogD (pH = 7.4): -0.35413754
• Log P: 2.1474507
• Molar Refractivity: 109.5549 cm^3
• Polarizability: 41.776894 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: 1.44
• LOG S: -1.92
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6