N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 689024
• Molecular Formular: C17H19N5O3
• Molecular Mass: 341.36446
• Monoisotopic Mass: 341.14878949
• SMILES: n1c(noc1CCC(=O)NCCc1nc(no1)CC)c1ccccc1
• Canonical SMILES: CCc1noc(n1)CCNC(=O)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C17H19N5O3/c1-2-13-19-16(24-21-13)10-11-18-14(23)8-9-15-20-17(22-25-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,18,23)
• InChIKey: WCLGDNLVAZABLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.784173
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6652498
• LogD (pH = 7.4): 2.6652498
• Log P: 2.6652498
• Molar Refractivity: 102.6445 cm^3
• Polarizability: 34.484787 Å^3
• Polar Surface Area: 106.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.71
• LOG S: -3.15
• Polar Surface Area: 106.94 Å^2
• Rotatable Bonds: 8