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

• ChemBase ID: 435356
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: n1c(onc1C)c1cnc(NCC[C@H]2[C@H]3C=C[C@H](C3)C2)cc1
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)NCC[C@@H]1C[C@H]2C[C@@H]1C=C2
• InChI: InChI=1S/C17H20N4O/c1-11-20-17(22-21-11)15-4-5-16(19-10-15)18-7-6-14-9-12-2-3-13(14)8-12/h2-5,10,12-14H,6-9H2,1H3,(H,18,19)/t12-,13+,14-/m1/s1
• InChIKey: FIQDRBPPWLGSKX-HZSPNIEDSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9695632
• LogD (pH = 7.4): 3.0925658
• Log P: 3.0943959
• Molar Refractivity: 98.9841 cm^3
• Polarizability: 32.593227 Å^3
• Polar Surface Area: 63.84 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: 3.47
• LOG S: -4.9
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 5