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

• ChemBase ID: 767734
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: n1c(onc1CCOC)C1CN(Cc2c(nccc2)N)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)Cc1cccnc1N
• InChI: InChI=1S/C16H23N5O2/c1-22-9-6-14-19-16(23-20-14)13-5-3-8-21(11-13)10-12-4-2-7-18-15(12)17/h2,4,7,13H,3,5-6,8-11H2,1H3,(H2,17,18)
• InChIKey: VISMHXCTPHSLAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine
• IUPAC Traditional name: 3-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)pyridin-2-amine
• Synonyms: 3-({3-[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): -1.2228347
• LogD (pH = 7.4): 0.6105672
• Log P: 1.3827112
• Molar Refractivity: 89.9339 cm^3
• Polarizability: 33.19973 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: 0.31
• LOG S: -0.77
• Polar Surface Area: 90.3 Å^2
• Rotatable Bonds: 6