N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 758835
• Molecular Formular: C16H17N3O3
• Molecular Mass: 299.32448
• Monoisotopic Mass: 299.12699142
• SMILES: C1(=O)NC(c2c1cccc2)CC(=O)NCc1onc(c1)CC
• Canonical SMILES: CCc1noc(c1)CNC(=O)CC1NC(=O)c2c1cccc2
• InChI: InChI=1S/C16H17N3O3/c1-2-10-7-11(22-19-10)9-17-15(20)8-14-12-5-3-4-6-13(12)16(21)18-14/h3-7,14H,2,8-9H2,1H3,(H,17,20)(H,18,21)
• InChIKey: NPHPROZNOITRFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
• Synonyms: N-[(3-ethyl-5-isoxazolyl)methyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.150425
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.83120835
• LogD (pH = 7.4): 0.831211
• Log P: 0.8312117
• Molar Refractivity: 80.9113 cm^3
• Polarizability: 30.222612 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.7
• LOG S: -3.69
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 4