N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N'-(2-fluoro-5-methylphenyl)butanediamide

• ChemBase ID: 389785
• Molecular Formular: C17H21FN4O3
• Molecular Mass: 348.3720432
• Monoisotopic Mass: 348.15976877
• SMILES: n1c(onc1CC)CCNC(=O)CCC(=O)Nc1c(ccc(c1)C)F
• Canonical SMILES: CCc1noc(n1)CCNC(=O)CCC(=O)Nc1cc(C)ccc1F
• InChI: InChI=1S/C17H21FN4O3/c1-3-14-21-17(25-22-14)8-9-19-15(23)6-7-16(24)20-13-10-11(2)4-5-12(13)18/h4-5,10H,3,6-9H2,1-2H3,(H,19,23)(H,20,24)
• InChIKey: XHTJNDPLLGXOQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
• IUPAC Traditional name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N'-(2-fluoro-5-methylphenyl)succinamide
• Synonyms: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N'-(2-fluoro-5-methylphenyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.957337
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2534137
• LogD (pH = 7.4): 2.2534025
• Log P: 2.253414
• Molar Refractivity: 92.2972 cm^3
• Polarizability: 33.635464 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.8
• LOG S: -2.43
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 8