N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide

• ChemBase ID: 645971
• Molecular Formular: C19H25N3O5
• Molecular Mass: 375.4189
• Monoisotopic Mass: 375.17942092
• SMILES: c1(nc(on1)CCCC(=O)NC1CC2(OCC1)CCOCC2)c1occc1
• Canonical SMILES: O=C(NC1CCOC2(C1)CCOCC2)CCCc1onc(n1)c1ccco1
• InChI: InChI=1S/C19H25N3O5/c23-16(20-14-6-10-26-19(13-14)7-11-24-12-8-19)4-1-5-17-21-18(22-27-17)15-3-2-9-25-15/h2-3,9,14H,1,4-8,10-13H2,(H,20,23)
• InChIKey: ZBDVKFGNQKHVQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-4-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.948257
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.70534086
• LogD (pH = 7.4): 0.705341
• Log P: 0.70534104
• Molar Refractivity: 107.9706 cm^3
• Polarizability: 37.753624 Å^3
• Polar Surface Area: 99.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.84
• LOG S: -3.53
• Polar Surface Area: 99.62 Å^2
• Rotatable Bonds: 6