1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

• ChemBase ID: 497569
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: c1(nnc(o1)CC)CN1C(CCc2n(ccn2)C)CCCC1
• Canonical SMILES: CCc1nnc(o1)CN1CCCCC1CCc1nccn1C
• InChI: InChI=1S/C16H25N5O/c1-3-15-18-19-16(22-15)12-21-10-5-4-6-13(21)7-8-14-17-9-11-20(14)2/h9,11,13H,3-8,10,12H2,1-2H3
• InChIKey: SXPTYOOPKWKPCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine
• IUPAC Traditional name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
• Synonyms: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.877219
• LogD (pH = 7.4): 0.55438614
• Log P: 1.1315022
• Molar Refractivity: 86.9786 cm^3
• Polarizability: 32.670116 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.45
• LOG S: -1.64
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6