4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidine

• ChemBase ID: 283003
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: n1c(oc(c1c1ccccc1)C)C1CCNCC1
• Canonical SMILES: Cc1oc(nc1c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C15H18N2O/c1-11-14(12-5-3-2-4-6-12)17-15(18-11)13-7-9-16-10-8-13/h2-6,13,16H,7-10H2,1H3
• InChIKey: QYKDPFJVQCVBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidine
• IUPAC Traditional name: 4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidine
• Synonyms: 4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidine

Database IDs

• MDL Number: MFCD20441717
• PubChem SID: 180668534
• PubChem CID: 54595577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.83423704
• LogD (pH = 7.4): -0.0029838136
• Log P: 2.3744168
• Molar Refractivity: 71.5536 cm^3
• Polarizability: 28.98857 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.859

Product Information

• Purity: 95%