1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine

• ChemBase ID: 86266
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: n1c(c(c(o1)C)C(=O)N1CCCCC1)C
• Canonical SMILES: Cc1onc(c1C(=O)N1CCCCC1)C
• InChI: InChI=1S/C11H16N2O2/c1-8-10(9(2)15-12-8)11(14)13-6-4-3-5-7-13/h3-7H2,1-2H3
• InChIKey: ZCKWZEVNPRLZAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• Synonyms: (3,5-dimethylisoxazol-4-yl)(piperidino)methanone

Database IDs

• MDL Number: MFCD00863167
• PubChem SID: 162073382
• PubChem CID: 2798233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8170719
• LogD (pH = 7.4): 0.81708115
• Log P: 0.8170813
• Molar Refractivity: 58.255 cm^3
• Polarizability: 21.194084 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true