8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

• ChemBase ID: 129316
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: CN1C2CCC1CC(c1ccc(cc1)C)C2c1cc(C)no1
• Canonical SMILES: Cc1ccc(cc1)C1CC2CCC(C1c1onc(c1)C)N2C
• InChI: InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3
• InChIKey: JWOFBAPJYPWTNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 8-methyl-2-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
• Synonyms: RTI-171

Database IDs

• PubChem SID: 162223610
• PubChem CID: 10334746; 10565888
• Wikipedia Title: RTI-171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.041192286
• LogD (pH = 7.4): 1.3545841
• Log P: 3.3004544
• Molar Refractivity: 89.2291 cm^3
• Polarizability: 34.08046 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true