2-(2-methylpropyl)-8-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 839424
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: c1(nnc(o1)CN1CCC2(CN(C(=O)C2)CC(C)C)CC1)c1cnccc1
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)Cc1nnc(o1)c1cccnc1)C
• InChI: InChI=1S/C20H27N5O2/c1-15(2)12-25-14-20(10-18(25)26)5-8-24(9-6-20)13-17-22-23-19(27-17)16-4-3-7-21-11-16/h3-4,7,11,15H,5-6,8-10,12-14H2,1-2H3
• InChIKey: JIKWXINHPPLODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)-8-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(2-methylpropyl)-8-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-isobutyl-8-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4642124
• LogD (pH = 7.4): 0.14540344
• Log P: 0.46062443
• Molar Refractivity: 114.1033 cm^3
• Polarizability: 40.043858 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.12
• LOG S: -2.85
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5