N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 845350
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCc1oc(nn1)c1ccccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C22H22N4O2/c1-13-9-14(2)21-18(10-13)17(15(3)24-21)11-19(27)23-12-20-25-26-22(28-20)16-7-5-4-6-8-16/h4-10,24H,11-12H2,1-3H3,(H,23,27)
• InChIKey: CMQMJQTVUHIZOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.15184
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1567433
• LogD (pH = 7.4): 3.1567426
• Log P: 3.1567433
• Molar Refractivity: 120.3699 cm^3
• Polarizability: 42.543777 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.56
• LOG S: -4.11
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5