N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propoxybenzamide

• ChemBase ID: 348786
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: C(=O)(c1c(OCCC)cccc1)N(Cc1onc(c1)C)C
• Canonical SMILES: CCCOc1ccccc1C(=O)N(Cc1onc(c1)C)C
• InChI: InChI=1S/C16H20N2O3/c1-4-9-20-15-8-6-5-7-14(15)16(19)18(3)11-13-10-12(2)17-21-13/h5-8,10H,4,9,11H2,1-3H3
• InChIKey: RXWAISHSTVSNRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propoxybenzamide
• IUPAC Traditional name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propoxybenzamide
• Synonyms: N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-2-propoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1332827
• LogD (pH = 7.4): 2.1332872
• Log P: 2.1332872
• Molar Refractivity: 81.1892 cm^3
• Polarizability: 30.394758 Å^3
• Polar Surface Area: 55.57 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: 1.87
• LOG S: -2.9
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6