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

• ChemBase ID: 584008
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: n1c(onc1CC)CN(C(=O)CCc1ccncc1)C(C)C
• Canonical SMILES: CCc1noc(n1)CN(C(=O)CCc1ccncc1)C(C)C
• InChI: InChI=1S/C16H22N4O2/c1-4-14-18-15(22-19-14)11-20(12(2)3)16(21)6-5-13-7-9-17-10-8-13/h7-10,12H,4-6,11H2,1-3H3
• InChIKey: PMYNUSZIBIEWCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)-3-(pyridin-4-yl)propanamide
• IUPAC Traditional name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-isopropyl-3-(pyridin-4-yl)propanamide
• Synonyms: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-isopropyl-3-pyridin-4-ylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0013928
• LogD (pH = 7.4): 2.1171646
• Log P: 2.118918
• Molar Refractivity: 84.3997 cm^3
• Polarizability: 31.849833 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.09
• LOG S: -1.04
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7