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

• ChemBase ID: 697145
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: n1c(noc1CCC)CN(C(=O)C1Cc2c(CC1)cccc2)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)C1CCc2c(C1)cccc2)CC
• InChI: InChI=1S/C19H25N3O2/c1-3-7-18-20-17(21-24-18)13-22(4-2)19(23)16-11-10-14-8-5-6-9-15(14)12-16/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3
• InChIKey: SAUWBIIXNLAQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9284637
• LogD (pH = 7.4): 3.928464
• Log P: 3.928464
• Molar Refractivity: 94.5523 cm^3
• Polarizability: 35.68482 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.71
• LOG S: -3.91
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 6