2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide

• ChemBase ID: 497389
• Molecular Formular: C21H22FN3O2
• Molecular Mass: 367.4166832
• Monoisotopic Mass: 367.16960518
• SMILES: C(=O)(N(Cc1cc(no1)c1ccccc1)C)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CN(C(C(=O)N(Cc1onc(c1)c1ccccc1)C)c1ccc(cc1)F)C
• InChI: InChI=1S/C21H22FN3O2/c1-24(2)20(16-9-11-17(22)12-10-16)21(26)25(3)14-18-13-19(23-27-18)15-7-5-4-6-8-15/h4-13,20H,14H2,1-3H3
• InChIKey: OGGCPAFYRYSOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8626039
• LogD (pH = 7.4): 3.266259
• Log P: 3.429789
• Molar Refractivity: 102.9589 cm^3
• Polarizability: 40.280876 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.81
• LOG S: -4.28
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6