7-(cyclopropylmethyl)-2-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 566400
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(nc(on1)CN1CC2(C(=O)N(CC3CC3)CCC2)CC1)c1occc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1onc(n1)c1ccco1)CC1CC1
• InChI: InChI=1S/C19H24N4O3/c24-18-19(6-2-8-23(18)11-14-4-5-14)7-9-22(13-19)12-16-20-17(21-26-16)15-3-1-10-25-15/h1,3,10,14H,2,4-9,11-13H2
• InChIKey: CFUPMABIJHMSIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.42623642
• LogD (pH = 7.4): 1.3502151
• Log P: 2.0615947
• Molar Refractivity: 106.9007 cm^3
• Polarizability: 37.115658 Å^3
• Polar Surface Area: 75.61 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: 2.45
• LOG S: -3.89
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 5