2-Methyl-5-(4-nitrophenyl)-1,3-oxazole
TL;DR: 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole (CAS 69414-31-9) 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.
2-methyl-5-(4-nitrophenyl)-1,3-oxazole
Also Known As: 2-methyl-5-(4-nitrophenyl)-1,3-oxazole, 2-Methyl-5-(4-nitrophenyl)oxazole, Oxazole,2-methyl-5-(4-nitrophenyl)-, NCIOpen2_003023, oxazole, 2-methyl-5-(4-nitrophenyl)-
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 69414-31-9 |
|---|---|
| SMILES | CC1=NC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KGVYXYUOGFKYDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-(4-nitrophenyl)-1,3-oxazole (CAS 69414-31-9), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 2-methyl-5-(4-nitrophenyl)-1,3-oxazole.
Chemical Property Profile of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole
Property Insights of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole. Following Lipinski's Rule of Five, 2-Methyl-5-(4-nitrophenyl)-1,3-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 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole?
The CAS number of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole is 69414-31-9.
What is the molecular formula of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole?
The molecular formula of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole is C10H8N2O3.
What is the molecular weight of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole?
The molecular weight of 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole is 204.05 g/mol.
Where can I buy 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole?
You can request a quote for 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.