N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide

• ChemBase ID: 552470
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(=CCCN(C1)Cc1nnc(o1)CC)C(N(C(=O)C)C)C
• Canonical SMILES: CCc1nnc(o1)CN1CCC=C(C1)C(N(C(=O)C)C)C
• InChI: InChI=1S/C15H24N4O2/c1-5-14-16-17-15(21-14)10-19-8-6-7-13(9-19)11(2)18(4)12(3)20/h7,11H,5-6,8-10H2,1-4H3
• InChIKey: GJTOZBJWRKVLKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide
• IUPAC Traditional name: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6-dihydro-2H-pyridin-3-yl}ethyl)-N-methylacetamide
• Synonyms: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3955089
• LogD (pH = 7.4): -0.3142792
• Log P: -0.24799271
• Molar Refractivity: 83.499 cm^3
• Polarizability: 31.078207 Å^3
• Polar Surface Area: 62.47 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: -0.44
• LOG S: -2.27
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5