2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

• ChemBase ID: 863473
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: n1c(occ1CNC(=O)C(c1cc(F)ccc1)N(C)C)c1ccccc1
• Canonical SMILES: Fc1cccc(c1)C(C(=O)NCc1coc(n1)c1ccccc1)N(C)C
• InChI: InChI=1S/C20H20FN3O2/c1-24(2)18(15-9-6-10-16(21)11-15)19(25)22-12-17-13-26-20(23-17)14-7-4-3-5-8-14/h3-11,13,18H,12H2,1-2H3,(H,22,25)
• InChIKey: SRWOTYXVUJMYSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.651445
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5184487
• LogD (pH = 7.4): 2.8161526
• Log P: 2.9366243
• Molar Refractivity: 107.2673 cm^3
• Polarizability: 37.764652 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.21
• LOG S: -4.52
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6