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

• ChemBase ID: 471598
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(nc(on1)CN1CC2(C(=O)N(C(C)C)CCC2)CC1)c1occc1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)Cc1onc(n1)c1ccco1)C
• InChI: InChI=1S/C18H24N4O3/c1-13(2)22-8-4-6-18(17(22)23)7-9-21(12-18)11-15-19-16(20-25-15)14-5-3-10-24-14/h3,5,10,13H,4,6-9,11-12H2,1-2H3
• InChIKey: ZENRRGMRVGMSAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.38706365
• LogD (pH = 7.4): 1.3848315
• Log P: 2.068414
• Molar Refractivity: 104.1261 cm^3
• Polarizability: 36.00007 Å^3
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.43
• LOG S: -3.79
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 4