1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-[2-(thiophen-2-yl)ethyl]piperidine

• ChemBase ID: 349728
• Molecular Formular: C16H22N2OS
• Molecular Mass: 290.42368
• Monoisotopic Mass: 290.14528433
• SMILES: n1c(coc1C)CN1C(CCc2sccc2)CCCC1
• Canonical SMILES: Cc1occ(n1)CN1CCCCC1CCc1cccs1
• InChI: InChI=1S/C16H22N2OS/c1-13-17-14(12-19-13)11-18-9-3-2-5-15(18)7-8-16-6-4-10-20-16/h4,6,10,12,15H,2-3,5,7-9,11H2,1H3
• InChIKey: QYNJDBLUKHAKLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-[2-(thiophen-2-yl)ethyl]piperidine
• IUPAC Traditional name: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-[2-(thiophen-2-yl)ethyl]piperidine
• Synonyms: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-[2-(2-thienyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9710495
• LogD (pH = 7.4): 2.7211561
• Log P: 3.341788
• Molar Refractivity: 82.0533 cm^3
• Polarizability: 31.76157 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.9
• LOG S: -2.79
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5