2-(5-methyl-1,2-oxazol-3-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 699285
• Molecular Formular: C16H21N3O2S
• Molecular Mass: 319.42184
• Monoisotopic Mass: 319.13544793
• SMILES: c1(C(=O)N2C(c3noc(c3)C)CCCC2)nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCCCC1c1noc(c1)C
• InChI: InChI=1S/C16H21N3O2S/c1-3-6-15-17-13(10-22-15)16(20)19-8-5-4-7-14(19)12-9-11(2)21-18-12/h9-10,14H,3-8H2,1-2H3
• InChIKey: MBOVTUGPCJIGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 2-(5-methyl-3-isoxazolyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0164216
• LogD (pH = 7.4): 3.0164247
• Log P: 3.0164247
• Molar Refractivity: 86.0042 cm^3
• Polarizability: 32.26667 Å^3
• Polar Surface Area: 59.23 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: 1.27
• LOG S: -2.61
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4