N-cyclohexyl-2-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-oxazol-3-yl)-N-methylacetamide

• ChemBase ID: 662124
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: n1(c(=O)oc(c1C)C)CC(=O)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)Cn1c(=O)oc(c1C)C)C1CCCCC1
• InChI: InChI=1S/C14H22N2O3/c1-10-11(2)19-14(18)16(10)9-13(17)15(3)12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
• InChIKey: KOEOHPSPHHVPSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-oxazol-3-yl)-N-methylacetamide
• IUPAC Traditional name: N-cyclohexyl-2-(4,5-dimethyl-2-oxo-1,3-oxazol-3-yl)-N-methylacetamide
• Synonyms: N-cyclohexyl-2-(4,5-dimethyl-2-oxo-1,3-oxazol-3(2H)-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.2068
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5449036
• LogD (pH = 7.4): 1.5449036
• Log P: 1.5449036
• Molar Refractivity: 73.6441 cm^3
• Polarizability: 27.95237 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.29
• LOG S: -3.1
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 3