8-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 406947
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(oc(nn1)C)N1CC2(CN(C(=O)CC2)C(C)C)CCC1
• Canonical SMILES: CC(N1CC2(CCCN(C2)c2nnc(o2)C)CCC1=O)C
• InChI: InChI=1S/C15H24N4O2/c1-11(2)19-10-15(7-5-13(19)20)6-4-8-18(9-15)14-17-16-12(3)21-14/h11H,4-10H2,1-3H3
• InChIKey: UERQBOYDWOLULN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-isopropyl-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-isopropyl-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 0
• Log P: 0.53
• LOG S: -1.78

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6838771
• LogD (pH = 7.4): 0.6838779
• Log P: 0.68387794
• Molar Refractivity: 81.5017 cm^3
• Polarizability: 30.231604 Å^3
• Polar Surface Area: 62.47 Å^2