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

• ChemBase ID: 331067
• Molecular Formular: C17H22FN3O2
• Molecular Mass: 319.3738832
• Monoisotopic Mass: 319.16960518
• SMILES: C(=O)(N(Cc1onc(c1)CC)C)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CCc1noc(c1)CN(C(=O)C(c1ccc(cc1)F)N(C)C)C
• InChI: InChI=1S/C17H22FN3O2/c1-5-14-10-15(23-19-14)11-21(4)17(22)16(20(2)3)12-6-8-13(18)9-7-12/h6-10,16H,5,11H2,1-4H3
• InChIKey: VKJUSEGRYONAPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6614313
• LogD (pH = 7.4): 2.0650892
• Log P: 2.2286193
• Molar Refractivity: 87.4131 cm^3
• Polarizability: 32.96646 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: 2.2
• LOG S: -3.41
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6