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

• ChemBase ID: 815369
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: o1c(ncc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1ncco1
• InChI: InChI=1S/C8H12N2O/c1-3-9-4-2-7(1)8-10-5-6-11-8/h5-7,9H,1-4H2
• InChIKey: YNYDCASRUGOZJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 340700-99-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0649667
• LogD (pH = 7.4): -2.213889
• Log P: 0.14177983
• Molar Refractivity: 41.6397 cm^3
• Polarizability: 16.238712 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%