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

• ChemBase ID: 452901
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: n1c(noc1CCC(=O)N1C(CCNC(=O)C)CCCC1)c1cnccc1
• Canonical SMILES: CC(=O)NCCC1CCCCN1C(=O)CCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C19H25N5O3/c1-14(25)21-11-9-16-6-2-3-12-24(16)18(26)8-7-17-22-19(23-27-17)15-5-4-10-20-13-15/h4-5,10,13,16H,2-3,6-9,11-12H2,1H3,(H,21,25)
• InChIKey: QNPAJOVCTSIVCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 7
• H Acceptors: 6
• H Donor: 1
• Log P: 1.01
• LOG S: -2.77

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.446848
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5993588
• LogD (pH = 7.4): 0.60507196
• Log P: 0.6051454
• Molar Refractivity: 110.9491 cm^3
• Polarizability: 38.64 Å^3
• Polar Surface Area: 101.22 Å^2