4-{1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl}thiomorpholine

• ChemBase ID: 482745
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: c1(onc(c1)CC)CN1CCC(N2CCSCC2)CC1
• Canonical SMILES: CCc1noc(c1)CN1CCC(CC1)N1CCSCC1
• InChI: InChI=1S/C15H25N3OS/c1-2-13-11-15(19-16-13)12-17-5-3-14(4-6-17)18-7-9-20-10-8-18/h11,14H,2-10,12H2,1H3
• InChIKey: JWHQHLKEOJMALC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.5294302
• LogD (pH = 7.4): -0.35042536
• Log P: 1.41906
• Molar Refractivity: 85.9498 cm^3
• Polarizability: 32.982235 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.44
• LOG S: -1.3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 3