2-butoxy-N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide

• ChemBase ID: 430857
• Molecular Formular: C18H19N3O4
• Molecular Mass: 341.36116
• Monoisotopic Mass: 341.1375561
• SMILES: c1(oc(nn1)c1ccc(NC(=O)COCCCC)cc1)c1occc1
• Canonical SMILES: CCCCOCC(=O)Nc1ccc(cc1)c1nnc(o1)c1ccco1
• InChI: InChI=1S/C18H19N3O4/c1-2-3-10-23-12-16(22)19-14-8-6-13(7-9-14)17-20-21-18(25-17)15-5-4-11-24-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,22)
• InChIKey: YKORTJHDWIBHOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
• IUPAC Traditional name: 2-butoxy-N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
• Synonyms: 2-butoxy-N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.4550495
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4519606
• LogD (pH = 7.4): 2.451957
• Log P: 2.4519606
• Molar Refractivity: 114.7677 cm^3
• Polarizability: 35.826164 Å^3
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.54
• LOG S: -3.85
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 8