N-(4-chloro-3-methylphenyl)-2-{[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](propan-2-yl)amino}acetamide

• ChemBase ID: 599720
• Molecular Formular: C17H23ClN4O2
• Molecular Mass: 350.84312
• Monoisotopic Mass: 350.15095368
• SMILES: c1(nnc(o1)CC)CN(CC(=O)Nc1cc(c(cc1)Cl)C)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(C)C)CC(=O)Nc1ccc(c(c1)C)Cl
• InChI: InChI=1S/C17H23ClN4O2/c1-5-16-20-21-17(24-16)10-22(11(2)3)9-15(23)19-13-6-7-14(18)12(4)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,19,23)
• InChIKey: MHFVWRDFSCGYPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-methylphenyl)-2-{[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](propan-2-yl)amino}acetamide
• IUPAC Traditional name: N-(4-chloro-3-methylphenyl)-2-{[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](isopropyl)amino}acetamide
• Synonyms: N-(4-chloro-3-methylphenyl)-2-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](isopropyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.465812
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2774074
• LogD (pH = 7.4): 2.5901027
• Log P: 2.5959835
• Molar Refractivity: 97.2962 cm^3
• Polarizability: 36.064957 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.44
• LOG S: -3.84
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7