2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}acetamide

• ChemBase ID: 322930
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: C(=O)(C(c1c(F)cccc1)N(C)C)N(Cc1noc(c1)C(C)C)C
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)N(Cc1noc(c1)C(C)C)C)C
• InChI: InChI=1S/C18H24FN3O2/c1-12(2)16-10-13(20-24-16)11-22(5)18(23)17(21(3)4)14-8-6-7-9-15(14)19/h6-10,12,17H,11H2,1-5H3
• InChIKey: LIOPBIRCJJSREH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-[(5-isopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-[(5-isopropyl-3-isoxazolyl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7729356
• LogD (pH = 7.4): 2.611256
• Log P: 2.6452405
• Molar Refractivity: 91.9403 cm^3
• Polarizability: 34.802746 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: 2.55
• LOG S: -3.81
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6