N-{[8-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}furan-2-carboxamide

• ChemBase ID: 442495
• Molecular Formular: C18H24N4O4
• Molecular Mass: 360.40756
• Monoisotopic Mass: 360.17975527
• SMILES: c1(oc(nn1)CC)N1CCC2(OC(CNC(=O)c3occc3)CC2)CC1
• Canonical SMILES: CCc1nnc(o1)N1CCC2(CC1)CCC(O2)CNC(=O)c1ccco1
• InChI: InChI=1S/C18H24N4O4/c1-2-15-20-21-17(25-15)22-9-7-18(8-10-22)6-5-13(26-18)12-19-16(23)14-4-3-11-24-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,23)
• InChIKey: WQLCAGZTESXLAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[8-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}furan-2-carboxamide
• IUPAC Traditional name: N-{[8-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}furan-2-carboxamide
• Synonyms: N-{[8-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.994482
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8573828
• LogD (pH = 7.4): 0.8573831
• Log P: 0.8573832
• Molar Refractivity: 95.9844 cm^3
• Polarizability: 35.40576 Å^3
• Polar Surface Area: 93.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.27
• LOG S: -3.56
• Polar Surface Area: 93.63 Å^2
• Rotatable Bonds: 5