2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

• ChemBase ID: 530330
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C1(C(=O)Nc2c1c(cc(c2)C)C)CC(=O)N(Cc1nc(no1)CC)CC
• Canonical SMILES: CCc1noc(n1)CN(C(=O)CC1C(=O)Nc2c1c(C)cc(c2)C)CC
• InChI: InChI=1S/C19H24N4O3/c1-5-15-21-16(26-22-15)10-23(6-2)17(24)9-13-18-12(4)7-11(3)8-14(18)20-19(13)25/h7-8,13H,5-6,9-10H2,1-4H3,(H,20,25)
• InChIKey: MWSUMRDDPIIENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• Synonyms: 2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.82642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7263963
• LogD (pH = 7.4): 2.726395
• Log P: 2.7263966
• Molar Refractivity: 100.6794 cm^3
• Polarizability: 36.76458 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: 1.69
• LOG S: -3.24
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6