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

• ChemBase ID: 321187
• Molecular Formular: C16H21FN4O2
• Molecular Mass: 320.3619432
• Monoisotopic Mass: 320.16485415
• SMILES: n1c(noc1C)CCN(C(=O)C(c1c(F)cccc1)N(C)C)C
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)N(CCc1noc(n1)C)C)C
• InChI: InChI=1S/C16H21FN4O2/c1-11-18-14(19-23-11)9-10-21(4)16(22)15(20(2)3)12-7-5-6-8-13(12)17/h5-8,15H,9-10H2,1-4H3
• InChIKey: GYKSXVYXLRKPCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.97274905
• LogD (pH = 7.4): 1.8117201
• Log P: 1.8457474
• Molar Refractivity: 86.1421 cm^3
• Polarizability: 32.128292 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.21
• LOG S: -2.57
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6