N-ethyl-2-(phenylformamido)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

• ChemBase ID: 664480
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: n1c(noc1CCC)CN(C(=O)CNC(=O)c1ccccc1)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)CNC(=O)c1ccccc1)CC
• InChI: InChI=1S/C17H22N4O3/c1-3-8-15-19-14(20-24-15)12-21(4-2)16(22)11-18-17(23)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,23)
• InChIKey: DUZNOHOXUKNZNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(phenylformamido)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• IUPAC Traditional name: N-ethyl-2-(phenylformamido)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• Synonyms: N-(2-{ethyl[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino}-2-oxoethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.94978
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8335563
• LogD (pH = 7.4): 1.8335564
• Log P: 1.8335564
• Molar Refractivity: 90.8899 cm^3
• Polarizability: 33.769184 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.35
• LOG S: -2.76
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 8