2-Isopropyl-2-oxazoline
TL;DR: 2-Isopropyl-2-oxazoline (CAS 104311-20-8) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propan-2-yl-4,5-dihydro-1,3-oxazole
Also Known As: 2-Isopropyl-2-oxazoline, 2-Isopropyl-4,5-dihydrooxazole, 2-isopropyl-4,5-dihydro-1,3-oxazole, 2-propan-2-yl-4,5-dihydro-1,3-oxazole, 2-Isopropyl-1,3-oxazol-2-ine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.08406 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.08406 Da |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
| SMILES | CC(C)C1=NCCO1 |
| InChIKey | FVEZUCIZWRDMSJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropyl-2-oxazoline
Property Insights of 2-Isopropyl-2-oxazoline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-2-oxazoline. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Isopropyl-2-oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-2-oxazoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Isopropyl-2-oxazoline?
The CAS number of 2-Isopropyl-2-oxazoline is 104311-20-8.
What is the molecular formula of 2-Isopropyl-2-oxazoline?
The molecular formula of 2-Isopropyl-2-oxazoline is C6H11NO.
What is the molecular weight of 2-Isopropyl-2-oxazoline?
The molecular weight of 2-Isopropyl-2-oxazoline is 113.08406 g/mol.
Where can I buy 2-Isopropyl-2-oxazoline?
You can request a quote for 2-Isopropyl-2-oxazoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropyl-2-oxazoline?
Yes, CoreyChem provides custom synthesis services for 2-Isopropyl-2-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.