3-({[1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]oxy}methyl)pyridine

• ChemBase ID: 625445
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(C(=O)N2CC(OCc3cnccc3)CCC2)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCCC(C1)OCc1cccnc1)C
• InChI: InChI=1S/C18H23N3O3/c1-3-16-20-13(2)17(24-16)18(22)21-9-5-7-15(11-21)23-12-14-6-4-8-19-10-14/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3
• InChIKey: JDFSOSHMYRXGEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]oxy}methyl)pyridine
• IUPAC Traditional name: 3-({[1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]oxy}methyl)pyridine
• Synonyms: 3-[({1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9533422
• LogD (pH = 7.4): 1.0126659
• Log P: 1.0134913
• Molar Refractivity: 89.8862 cm^3
• Polarizability: 34.253002 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.32
• LOG S: -1.34
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5