[(1r,4r)-4-[5-(6-methylpyridin-3-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine

• ChemBase ID: 62306
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c1(oc(nn1)[C@@H]1CC[C@H](CC1)CN)c1cnc(cc1)C
• Canonical SMILES: NC[C@@H]1CC[C@H](CC1)c1nnc(o1)c1ccc(nc1)C
• InChI: InChI=1S/C15H20N4O/c1-10-2-5-13(9-17-10)15-19-18-14(20-15)12-6-3-11(8-16)4-7-12/h2,5,9,11-12H,3-4,6-8,16H2,1H3/t11-,12-
• InChIKey: CTFNUOBRMISUAN-HAQNSBGRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1r,4r)-4-[5-(6-methylpyridin-3-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine
• IUPAC Traditional name: [(1r,4r)-4-[5-(6-methylpyridin-3-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine
• Synonyms: C-{4-[5-(6-Methyl-pyridin-3-yl)-[1,3,4]oxadiazol-2-yl]-cyclohexyl}-methylamine

Database IDs

• MDL Number: MFCD16621917
• PubChem SID: 162028045
• PubChem CID: 66509634

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1023798
• LogD (pH = 7.4): -1.6626159
• Log P: 0.9511329
• Molar Refractivity: 88.2205 cm^3
• Polarizability: 30.194103 Å^3
• Polar Surface Area: 77.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false