3-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine

• ChemBase ID: 355682
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1(nc(no1)CCOC)C1N(Cc2c(nccc2)N)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1Cc1cccnc1N
• InChI: InChI=1S/C16H23N5O2/c1-22-10-7-14-19-16(23-20-14)13-6-2-3-9-21(13)11-12-5-4-8-18-15(12)17/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H2,17,18)
• InChIKey: WRWCPIKONAIGEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine
• IUPAC Traditional name: 3-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine
• Synonyms: 3-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5341328
• LogD (pH = 7.4): 1.6261196
• Log P: 1.6729741
• Molar Refractivity: 89.6779 cm^3
• Polarizability: 33.27503 Å^3
• Polar Surface Area: 90.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.38
• LOG S: -0.83
• Polar Surface Area: 90.3 Å^2
• Rotatable Bonds: 6