5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

• ChemBase ID: 308775
• Molecular Formular: C8H14N4O
• Molecular Mass: 182.22296
• Monoisotopic Mass: 182.11676109
• SMILES: o1c(nnc1N)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)c1nnc(o1)N
• InChI: InChI=1S/C8H14N4O/c1-12-4-2-6(3-5-12)7-10-11-8(9)13-7/h6H,2-5H2,1H3,(H2,9,11)
• InChIKey: LIJNHHNZLNRFDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
• Synonyms: 5-(1-methyl-4-piperidinyl)-1,3,4-oxadiazol-2-amine

Database IDs

• CAS Number: 7659-03-2
• MDL Number: MFCD12198480

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1663086
• LogD (pH = 7.4): -1.3931234
• Log P: -0.58029985
• Molar Refractivity: 51.3243 cm^3
• Polarizability: 18.384953 Å^3
• Polar Surface Area: 68.18 Å^2