N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
TL;DR: N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide (CAS 109300-32-5) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
Also Known As: N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide, N-(5-methylisoxazol-3-yl)-4-nitrobenzamide, N-(5-Methyl-isoxazol-3-yl)-4-nitro-benzamide, BAS 00368539, N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
Technical Specifications
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.05931 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05931 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JYCYWWSDZJILCW-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
Property Insights of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide?
The CAS number of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide is 109300-32-5.
What is the molecular formula of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide?
The molecular formula of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide is C11H9N3O4.
What is the molecular weight of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide?
The molecular weight of N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide is 247.05931 g/mol.
Where can I buy N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide?
You can request a quote for N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.