N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 314858
• Molecular Formular: C22H24FN3O2
• Molecular Mass: 381.4432632
• Monoisotopic Mass: 381.18525524
• SMILES: c1([nH]c2c(c1C)cc(CNC(=O)CCN1OCCC1)cc2)c1c(F)cccc1
• Canonical SMILES: O=C(NCc1ccc2c(c1)c(C)c([nH]2)c1ccccc1F)CCN1CCCO1
• InChI: InChI=1S/C22H24FN3O2/c1-15-18-13-16(14-24-21(27)9-11-26-10-4-12-28-26)7-8-20(18)25-22(15)17-5-2-3-6-19(17)23/h2-3,5-8,13,25H,4,9-12,14H2,1H3,(H,24,27)
• InChIKey: LSQVUXRUSHLNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-3-(2-isoxazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.052294
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8697681
• LogD (pH = 7.4): 2.869981
• Log P: 2.8699837
• Molar Refractivity: 107.31 cm^3
• Polarizability: 43.483894 Å^3
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.01
• LOG S: -4.38
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 6