3-Methyl-5-(4-nitrophenyl)-1,2-oxazole
TL;DR: 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole (CAS 52063-44-2) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(4-nitrophenyl)-1,2-oxazole
Also Known As: 3-methyl-5-(4-nitrophenyl)-1,2-oxazole, 3-methyl-5-(4-nitrophenyl)isoxazole, 3-methyl-5-(4-nitro-phenyl)-isoxazole, 5-(4-Nitrophenyl)-3-methylisoxazole
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 2.55822 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 487.62354 |
Chemical Identifiers
| CAS Number | 52063-44-2 |
|---|---|
| SMILES | CC1=NOC(=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Methyl-5-(4-nitrophenyl)-1,2-oxazole (CAS 52063-44-2), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 3-methyl-5-(4-nitrophenyl)-1,2-oxazole.
Chemical Property Profile of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole
Property Insights of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole
The XLogP value of 2.55822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole. Following Lipinski's Rule of Five, 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole?
The CAS number of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole is 52063-44-2.
What is the molecular formula of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole?
The molecular formula of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole is C10H8N2O3.
What is the molecular weight of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole?
The molecular weight of 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole is 204.05 g/mol.
Where can I buy 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole?
You can request a quote for 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(4-nitrophenyl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.