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

• ChemBase ID: 842072
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: n1c(onc1Cc1cc(F)ccc1)CN1CCC(CC1)CCNC(=O)C
• Canonical SMILES: CC(=O)NCCC1CCN(CC1)Cc1onc(n1)Cc1cccc(c1)F
• InChI: InChI=1S/C19H25FN4O2/c1-14(25)21-8-5-15-6-9-24(10-7-15)13-19-22-18(23-26-19)12-16-3-2-4-17(20)11-16/h2-4,11,15H,5-10,12-13H2,1H3,(H,21,25)
• InChIKey: YECNAZLTBRGEMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.145656
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.58413774
• LogD (pH = 7.4): 2.0487306
• Log P: 2.2442982
• Molar Refractivity: 98.4281 cm^3
• Polarizability: 36.907967 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: 1.25
• LOG S: -3.05
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7