N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethyl-1H-indole-6-carboxamide

• ChemBase ID: 753284
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(onc1CCN(C(=O)c1cc2n(ccc2cc1)C)C)C1CC1
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)n(C)cc2)CCc1noc(n1)C1CC1
• InChI: InChI=1S/C18H20N4O2/c1-21-9-7-12-3-6-14(11-15(12)21)18(23)22(2)10-8-16-19-17(24-20-16)13-4-5-13/h3,6-7,9,11,13H,4-5,8,10H2,1-2H3
• InChIKey: RICGEGCPAMRLET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethyl-1H-indole-6-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethylindole-6-carboxamide
• Synonyms: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethyl-1H-indole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7074726
• LogD (pH = 7.4): 2.7074728
• Log P: 2.7074728
• Molar Refractivity: 92.1917 cm^3
• Polarizability: 35.067436 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.6
• LOG S: -2.08
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5