N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,3-dihydro-1H-indol-1-yl)-N-methyl-2-oxoacetamide

• ChemBase ID: 505911
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: N1(C(=O)C(=O)N(CCc2nc(on2)C2CC2)C)c2c(CC1)cccc2
• Canonical SMILES: CN(C(=O)C(=O)N1CCc2c1cccc2)CCc1noc(n1)C1CC1
• InChI: InChI=1S/C18H20N4O3/c1-21(10-9-15-19-16(25-20-15)13-6-7-13)17(23)18(24)22-11-8-12-4-2-3-5-14(12)22/h2-5,13H,6-11H2,1H3
• InChIKey: GYNWEQSBXUAUJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8554624
• LogD (pH = 7.4): 1.8554626
• Log P: 1.8554626
• Molar Refractivity: 92.0357 cm^3
• Polarizability: 34.364304 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.24
• LOG S: -3.2
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 5