2-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

• ChemBase ID: 537536
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1c(noc1C)CCN(C(=O)c1c(CC)cccc1)C
• Canonical SMILES: CCc1ccccc1C(=O)N(CCc1noc(n1)C)C
• InChI: InChI=1S/C15H19N3O2/c1-4-12-7-5-6-8-13(12)15(19)18(3)10-9-14-16-11(2)20-17-14/h5-8H,4,9-10H2,1-3H3
• InChIKey: WMEUMSUHXXOJFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 2-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
• Synonyms: 2-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Polarizability: 28.769087 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.557536
• LogD (pH = 7.4): 2.5575361
• Log P: 2.5575361
• Molar Refractivity: 78.4515 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 1.12
• LOG S: -2.78