7-(cyclobutylmethyl)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 653860
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: n1c(noc1C1CCCC1)CN1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1noc(n1)C1CCCC1)CC1CCC1
• InChI: InChI=1S/C21H32N4O2/c26-20-21(9-4-11-25(20)13-16-5-3-6-16)10-12-24(15-21)14-18-22-19(27-23-18)17-7-1-2-8-17/h16-17H,1-15H2
• InChIKey: OCWJEIWBCKIROX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6670284
• LogD (pH = 7.4): 3.0042024
• Log P: 3.1385736
• Molar Refractivity: 104.9253 cm^3
• Polarizability: 40.178947 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.21
• LOG S: -4.66
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5