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

• ChemBase ID: 789404
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: n1c(noc1CNC(=O)C(c1cc(F)ccc1)N(C)C)C1CCCCC1
• Canonical SMILES: CN(C(c1cccc(c1)F)C(=O)NCc1onc(n1)C1CCCCC1)C
• InChI: InChI=1S/C19H25FN4O2/c1-24(2)17(14-9-6-10-15(20)11-14)19(25)21-12-16-22-18(23-26-16)13-7-4-3-5-8-13/h6,9-11,13,17H,3-5,7-8,12H2,1-2H3,(H,21,25)
• InChIKey: GJVCSGKBZSEOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.795595
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9762188
• LogD (pH = 7.4): 3.2747967
• Log P: 3.395295
• Molar Refractivity: 97.7482 cm^3
• Polarizability: 36.906116 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.2
• LOG S: -4.56
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6