4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}butanamide

• ChemBase ID: 762473
• Molecular Formular: C15H17N5O5
• Molecular Mass: 347.32598
• Monoisotopic Mass: 347.12296867
• SMILES: c1(nc(on1)CCCC(=O)NCCOc1nonc1C)c1occc1
• Canonical SMILES: O=C(NCCOc1nonc1C)CCCc1onc(n1)c1ccco1
• InChI: InChI=1S/C15H17N5O5/c1-10-15(20-25-18-10)23-9-7-16-12(21)5-2-6-13-17-14(19-24-13)11-4-3-8-22-11/h3-4,8H,2,5-7,9H2,1H3,(H,16,21)
• InChIKey: OUGPHKWZQKXQQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}butanamide
• IUPAC Traditional name: 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}butanamide
• Synonyms: 4-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243564
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2439169
• LogD (pH = 7.4): 1.2439169
• Log P: 1.2439169
• Molar Refractivity: 96.9578 cm^3
• Polarizability: 32.21174 Å^3
• Polar Surface Area: 129.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: 1.61
• LOG S: -3.11
• Polar Surface Area: 129.31 Å^2
• Rotatable Bonds: 9