8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 696960
• Molecular Formular: C18H19N3O5
• Molecular Mass: 357.36056
• Monoisotopic Mass: 357.13247072
• SMILES: n1c(noc1CCC(=O)N1CCC2(OC(=O)OC2)CC1)c1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)COC(=O)O2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C18H19N3O5/c22-15(21-10-8-18(9-11-21)12-24-17(23)25-18)7-6-14-19-16(20-26-14)13-4-2-1-3-5-13/h1-5H,6-12H2
• InChIKey: XUMWRSWVCAJZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.824275
• LogD (pH = 7.4): 1.8242751
• Log P: 1.8242751
• Molar Refractivity: 101.4548 cm^3
• Polarizability: 35.415813 Å^3
• Polar Surface Area: 94.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.83
• LOG S: -3.37
• Polar Surface Area: 94.76 Å^2
• Rotatable Bonds: 4