N-(3-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy}pyridin-2-yl)acetamide

• ChemBase ID: 785687
• Molecular Formular: C17H17N3O3S
• Molecular Mass: 343.40018
• Monoisotopic Mass: 343.09906242
• SMILES: c1(nc(c(o1)C)COc1c(NC(=O)C)nccc1)c1c(ccs1)C
• Canonical SMILES: CC(=O)Nc1ncccc1OCc1nc(oc1C)c1sccc1C
• InChI: InChI=1S/C17H17N3O3S/c1-10-6-8-24-15(10)17-20-13(11(2)23-17)9-22-14-5-4-7-18-16(14)19-12(3)21/h4-8H,9H2,1-3H3,(H,18,19,21)
• InChIKey: GPQASUXCHSOHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy}pyridin-2-yl)acetamide
• IUPAC Traditional name: N-(3-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy}pyridin-2-yl)acetamide
• Synonyms: N-(3-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methoxy}pyridin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.515773
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6823487
• LogD (pH = 7.4): 2.6926417
• Log P: 2.6928074
• Molar Refractivity: 102.523 cm^3
• Polarizability: 34.907494 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.11
• LOG S: -4.36
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 5