3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-
TL;DR: 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- (CAS 145440-94-4) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-N-(2-methyl-6-nitrophenyl)-1,2-oxazole-3-carboxamide
Also Known As: 5-methyl-N- oxazole-3-carboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-1,2-oxazole-3-carboxamide, 5-Methyl-N-(2-methyl-6-nitrophenyl)isoxazole-3-carboxamide, 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-, 5-Methyl-N-(2-methyl-6-nitrophenyl)-3-isoxazolecarboxamide
Technical Specifications
| Molecular Formula | C12H11N3O4 |
| Molecular Weight | 261.07495 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.07495 Da |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=NOC(=C2)C |
| InChIKey | BTANXWFNWKZOAO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-
Property Insights of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-. Following Lipinski's Rule of Five, 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- 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-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-?
The CAS number of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- is 145440-94-4.
What is the molecular formula of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-?
The molecular formula of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- is C12H11N3O4.
What is the molecular weight of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-?
The molecular weight of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- is 261.07495 g/mol.
Where can I buy 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-?
You can request a quote for 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.