N-{2-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 862776
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: c1(nonc1C)CC(=O)NCC[C@H]1[C@H]2C=C[C@H](C2)C1
• Canonical SMILES: Cc1nonc1CC(=O)NCC[C@@H]1C[C@H]2C[C@@H]1C=C2
• InChI: InChI=1S/C14H19N3O2/c1-9-13(17-19-16-9)8-14(18)15-5-4-12-7-10-2-3-11(12)6-10/h2-3,10-12H,4-8H2,1H3,(H,15,18)/t10-,11+,12-/m1/s1
• InChIKey: CBDZXRIYHVMMDN-GRYCIOLGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-{2-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-{2-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.075847
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9185135
• LogD (pH = 7.4): 0.9185135
• Log P: 0.9185135
• Molar Refractivity: 72.9082 cm^3
• Polarizability: 26.999527 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -2.97
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5