2-(2-methylpropyl)-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 761425
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: n1c(onc1c1ccccc1)N1CCC2(CN(C(=O)C2)CC(C)C)CC1
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)c1onc(n1)c1ccccc1)C
• InChI: InChI=1S/C20H26N4O2/c1-15(2)13-24-14-20(12-17(24)25)8-10-23(11-9-20)19-21-18(22-26-19)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
• InChIKey: JBBPWZKQNYAFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.810825
• LogD (pH = 7.4): 3.810827
• Log P: 3.810827
• Molar Refractivity: 112.2924 cm^3
• Polarizability: 38.697525 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.89
• LOG S: -4.25
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4