3-(2-methyl-1H-indol-1-yl)-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

• ChemBase ID: 834185
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)NCc1nc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(n1)CNC(=O)CCn1c(C)cc2c1cccc2)C
• InChI: InChI=1S/C19H24N4O2/c1-13(2)10-17-21-19(25-22-17)12-20-18(24)8-9-23-14(3)11-15-6-4-5-7-16(15)23/h4-7,11,13H,8-10,12H2,1-3H3,(H,20,24)
• InChIKey: YYMGFOZYJMGLHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methyl-1H-indol-1-yl)-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• IUPAC Traditional name: 3-(2-methylindol-1-yl)-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• Synonyms: N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methyl-1H-indol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.021375
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2449477
• LogD (pH = 7.4): 3.2449467
• Log P: 3.2449477
• Molar Refractivity: 97.6504 cm^3
• Polarizability: 37.850418 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.2
• LOG S: -4.41
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 7