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

• ChemBase ID: 427288
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(nc(on1)CN1CC2(C(=O)N(CCC2)CCC)CC1)c1occc1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)Cc1onc(n1)c1ccco1
• InChI: InChI=1S/C18H24N4O3/c1-2-8-22-9-4-6-18(17(22)23)7-10-21(13-18)12-15-19-16(20-25-15)14-5-3-11-24-14/h3,5,11H,2,4,6-10,12-13H2,1H3
• InChIKey: JOKODQHLAIIJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.33670232
• LogD (pH = 7.4): 1.4397488
• Log P: 2.1511283
• Molar Refractivity: 104.2313 cm^3
• Polarizability: 36.00007 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: 2.62
• LOG S: -3.95
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 5