2-(5-methyl-1,2-oxazol-3-yl)piperidine

• ChemBase ID: 58312
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: C1CNC(CC1)c1cc(on1)C
• Canonical SMILES: Cc1onc(c1)C1CCCCN1
• InChI: InChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
• InChIKey: BYXVVIQOTFWZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2-oxazol-3-yl)piperidine
• IUPAC Traditional name: 2-(5-methyl-1,2-oxazol-3-yl)piperidine
• Synonyms: 2-(5-Methylisoxazol-3-yl)piperidine; 2-(5-methyl-3-isoxazolyl)piperidine

Database IDs

• CAS Number: 1211509-70-4
• MDL Number: MFCD14702870
• PubChem SID: 162063075
• PubChem CID: 46785747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1588455
• LogD (pH = 7.4): 0.5717806
• Log P: 1.2394956
• Molar Refractivity: 47.2628 cm^3
• Polarizability: 18.077297 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false