7-(cyclobutylmethyl)-2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 577021
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: c1(C(=O)N2CC3(C(=O)N(CC4CCC4)CCC3)CC2)nonc1C
• Canonical SMILES: Cc1nonc1C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C17H24N4O3/c1-12-14(19-24-18-12)15(22)21-9-7-17(11-21)6-3-8-20(16(17)23)10-13-4-2-5-13/h13H,2-11H2,1H3
• InChIKey: SZMTWYKWGGLLOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5543577
• LogD (pH = 7.4): 0.55435896
• Log P: 0.554359
• Molar Refractivity: 88.6758 cm^3
• Polarizability: 33.106155 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -2.99
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3