4-(1,2-oxazol-3-yl)piperidine

• ChemBase ID: 815368
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: o1nc(cc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1ccon1
• InChI: InChI=1S/C8H12N2O/c1-4-9-5-2-7(1)8-3-6-11-10-8/h3,6-7,9H,1-2,4-5H2
• InChIKey: KGDGSULSAJSJRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,2-oxazol-3-yl)piperidine
• IUPAC Traditional name: 4-(1,2-oxazol-3-yl)piperidine
• Synonyms: 3-(piperidin-4-yl)isoxazole

Database IDs

• CAS Number: 340700-99-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6380475
• LogD (pH = 7.4): -1.8301895
• Log P: 0.57273924
• Molar Refractivity: 42.5231 cm^3
• Polarizability: 16.239782 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%