N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(propan-2-yl)acetamide

• ChemBase ID: 830591
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C1(=O)Nc2c(C1CC(=O)N(Cc1nnc(o1)CC)C(C)C)cc(cc2)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)CC1C(=O)Nc2c1cc(C)cc2)C(C)C
• InChI: InChI=1S/C19H24N4O3/c1-5-16-21-22-17(26-16)10-23(11(2)3)18(24)9-14-13-8-12(4)6-7-15(13)20-19(14)25/h6-8,11,14H,5,9-10H2,1-4H3,(H,20,25)
• InChIKey: QZSZQKHVQRHZBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8568125
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2692571
• LogD (pH = 7.4): 1.2692556
• Log P: 1.2692571
• Molar Refractivity: 100.1828 cm^3
• Polarizability: 36.839077 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.45
• LOG S: -2.18
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6