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

• ChemBase ID: 375526
• Molecular Formular: C15H17FN4O3
• Molecular Mass: 320.3188832
• Monoisotopic Mass: 320.12846864
• SMILES: n1nc(oc1CNC(=O)CCC(=O)Nc1c(ccc(c1)C)F)C
• Canonical SMILES: O=C(NCc1nnc(o1)C)CCC(=O)Nc1cc(C)ccc1F
• InChI: InChI=1S/C15H17FN4O3/c1-9-3-4-11(16)12(7-9)18-14(22)6-5-13(21)17-8-15-20-19-10(2)23-15/h3-4,7H,5-6,8H2,1-2H3,(H,17,21)(H,18,22)
• InChIKey: DHXKENWVIXPXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.619703
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.010819383
• LogD (pH = 7.4): 0.010795761
• Log P: 0.010819732
• Molar Refractivity: 83.0967 cm^3
• Polarizability: 29.99031 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.73
• LOG S: -2.22
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 6