4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyridin-3-yloxy)propyl]butanamide

• ChemBase ID: 500816
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c1(nc(on1)CCCC(=O)NCCCOc1cnccc1)c1occc1
• Canonical SMILES: O=C(NCCCOc1cccnc1)CCCc1onc(n1)c1ccco1
• InChI: InChI=1S/C18H20N4O4/c23-16(20-10-4-12-24-14-5-2-9-19-13-14)7-1-8-17-21-18(22-26-17)15-6-3-11-25-15/h2-3,5-6,9,11,13H,1,4,7-8,10,12H2,(H,20,23)
• InChIKey: SIBYOOHVASEAMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyridin-3-yloxy)propyl]butanamide
• IUPAC Traditional name: 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyridin-3-yloxy)propyl]butanamide
• Synonyms: 4-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyridin-3-yloxy)propyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.750612
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.439255
• LogD (pH = 7.4): 1.5086771
• Log P: 1.5096565
• Molar Refractivity: 104.3907 cm^3
• Polarizability: 36.119644 Å^3
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.57
• LOG S: -3.14
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 10