N-({1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide

• ChemBase ID: 583294
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: n1c(onc1CN1CC(=CCC1)CNC(=O)C)C(C)(C)C
• Canonical SMILES: CC(=O)NCC1=CCCN(C1)Cc1noc(n1)C(C)(C)C
• InChI: InChI=1S/C15H24N4O2/c1-11(20)16-8-12-6-5-7-19(9-12)10-13-17-14(21-18-13)15(2,3)4/h6H,5,7-10H2,1-4H3,(H,16,20)
• InChIKey: PGQUKYAJQNMVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.765795
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2804466
• LogD (pH = 7.4): 1.5616409
• Log P: 1.5667142
• Molar Refractivity: 83.1332 cm^3
• Polarizability: 31.0778 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.05
• LOG S: -2.69
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5