4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole
TL;DR: 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole (CAS 122733-32-8) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-5H-1,3-oxazole
Also Known As: 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole, 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-5H-1,3-oxazole, 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-1,3-oxazoline, 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydrooxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3-nitrophenyl)oxazole
Technical Specifications
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.10045 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.10045 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(CO2)(C)C |
| InChIKey | JKBQEJQMTASJLJ-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole
Property Insights of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-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
What is the CAS number of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The CAS number of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole is 122733-32-8.
What is the molecular formula of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The molecular formula of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole is C12H14N2O3.
What is the molecular weight of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The molecular weight of 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole is 234.10045 g/mol.
Where can I buy 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole?
You can request a quote for 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.