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

• ChemBase ID: 747557
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: n1c(onc1CCNC(=O)C(c1cc(F)ccc1)N(C)C)C1CCCC1
• Canonical SMILES: CN(C(c1cccc(c1)F)C(=O)NCCc1noc(n1)C1CCCC1)C
• InChI: InChI=1S/C19H25FN4O2/c1-24(2)17(14-8-5-9-15(20)12-14)18(25)21-11-10-16-22-19(26-23-16)13-6-3-4-7-13/h5,8-9,12-13,17H,3-4,6-7,10-11H2,1-2H3,(H,21,25)
• InChIKey: OAGDZTSMXSGFON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.293059
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7462126
• LogD (pH = 7.4): 3.0452352
• Log P: 3.1658359
• Molar Refractivity: 97.8466 cm^3
• Polarizability: 36.907314 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.41
• LOG S: -3.89
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7