![3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline structure](/static/products/1164/1164541-49-4.webp)
3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
TL;DR: 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline (CAS 1164541-49-4) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Also Known As: N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]-N-(3-methylphenyl)amine, 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Technical Specifications
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.0957 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 Da |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
| SMILES | CC1=CC(=CC=C1)NC=CC2=C(C(=NO2)C)[N+](=O)[O-] |
| InChIKey | ZCDZBHJMKUNNAN-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Property Insights of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
The XLogP value of 3.0 indicates that 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline. Following Lipinski's Rule of Five, 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline 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 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The CAS number of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is 1164541-49-4.
What is the molecular formula of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The molecular formula of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is C13H13N3O3.
What is the molecular weight of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
The molecular weight of 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline is 259.0957 g/mol.
Where can I buy 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
You can request a quote for 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline?
Yes, CoreyChem provides custom synthesis services for 3-methyl-N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.