1-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indole

• ChemBase ID: 825639
• Molecular Formular: C22H20N4O2
• Molecular Mass: 372.4198
• Monoisotopic Mass: 372.1586259
• SMILES: n1c(onc1c1ccccc1)C1N(C(=O)c2c3ccn(c3ccc2)C)CCC1
• Canonical SMILES: O=C(c1cccc2c1ccn2C)N1CCCC1c1onc(n1)c1ccccc1
• InChI: InChI=1S/C22H20N4O2/c1-25-14-12-16-17(9-5-10-18(16)25)22(27)26-13-6-11-19(26)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-5,7-10,12,14,19H,6,11,13H2,1H3
• InChIKey: FTJFHAPQNLLEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-indole
• IUPAC Traditional name: 1-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]indole
• Synonyms: 1-methyl-4-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.19462
• LogD (pH = 7.4): 4.19462
• Log P: 4.19462
• Molar Refractivity: 118.1661 cm^3
• Polarizability: 41.751644 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.83
• LOG S: -4.33
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3