{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}(methyl){[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 608362
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1c(noc1CN(CC1=CC[C@@H]2C([C@H]1C2)(C)C)C)c1ccncc1
• Canonical SMILES: CN(Cc1onc(n1)c1ccncc1)CC1=CC[C@H]2C[C@@H]1C2(C)C
• InChI: InChI=1S/C19H24N4O/c1-19(2)15-5-4-14(16(19)10-15)11-23(3)12-17-21-18(22-24-17)13-6-8-20-9-7-13/h4,6-9,15-16H,5,10-12H2,1-3H3/t15-,16-/m0/s1
• InChIKey: SNMDECJCKGLFKG-HOTGVXAUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}(methyl){[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: {[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}(methyl){[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: 1-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3763734
• LogD (pH = 7.4): 2.8933547
• Log P: 3.123343
• Molar Refractivity: 106.0337 cm^3
• Polarizability: 36.74837 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.18
• LOG S: -3.27
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5