4-(1-methoxypropan-2-yl)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine

• ChemBase ID: 451088
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: c1(C(=O)N2CCC(CC2)C(COC)C)ncoc1C
• Canonical SMILES: COCC(C1CCN(CC1)C(=O)c1ncoc1C)C
• InChI: InChI=1S/C14H22N2O3/c1-10(8-18-3)12-4-6-16(7-5-12)14(17)13-11(2)19-9-15-13/h9-10,12H,4-8H2,1-3H3
• InChIKey: MBMVLTHWAUZSQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-methoxypropan-2-yl)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-(1-methoxypropan-2-yl)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine
• Synonyms: 4-(2-methoxy-1-methylethyl)-1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.95191586
• LogD (pH = 7.4): 0.95191586
• Log P: 0.95191586
• Molar Refractivity: 72.86 cm^3
• Polarizability: 27.49391 Å^3
• Polar Surface Area: 55.57 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: -0.2
• LOG S: -2.28
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4