N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamide

• ChemBase ID: 759656
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(c2c([nH]c1C)CCCC2=O)C(=O)NC(c1nc(no1)CC)C
• Canonical SMILES: CCc1noc(n1)C(NC(=O)c1c(C)[nH]c2c1C(=O)CCC2)C
• InChI: InChI=1S/C16H20N4O3/c1-4-12-19-16(23-20-12)9(3)18-15(22)13-8(2)17-10-6-5-7-11(21)14(10)13/h9,17H,4-7H2,1-3H3,(H,18,22)
• InChIKey: CTRCPYWUCCNXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamide
• IUPAC Traditional name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
• Synonyms: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.930487
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4444555
• LogD (pH = 7.4): 1.444347
• Log P: 1.4444569
• Molar Refractivity: 86.5427 cm^3
• Polarizability: 31.398487 Å^3
• Polar Surface Area: 100.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.27
• LOG S: -3.05
• Polar Surface Area: 100.88 Å^2
• Rotatable Bonds: 4