5-Tert-butyl-3-phenyl-1,2-oxazole
TL;DR: 5-Tert-butyl-3-phenyl-1,2-oxazole (CAS 106213-67-6) is a chemical compound with molecular formula C13H15NO and molecular weight 201.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-3-phenyl-1,2-oxazole
Also Known As: 5-tert-butyl-3-phenyl-1,2-oxazole, 5-(tert-butyl)-3-phenylisoxazole, 3-Phenyl-5-tert-butylisoxazole, 5-tert-Butyl-3-phenyl-isoxazole, BIM-0019918.P001
Technical Specifications
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.11537 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| SMILES | CC(C)(C)C1=CC(=NO1)C2=CC=CC=C2 |
| InChIKey | RIBKIXCBVCQZMG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-3-phenyl-1,2-oxazole
Property Insights of 5-Tert-butyl-3-phenyl-1,2-oxazole
The XLogP value of 3.7 indicates that 5-Tert-butyl-3-phenyl-1,2-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Tert-butyl-3-phenyl-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-3-phenyl-1,2-oxazole 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 5-Tert-butyl-3-phenyl-1,2-oxazole?
The CAS number of 5-Tert-butyl-3-phenyl-1,2-oxazole is 106213-67-6.
What is the molecular formula of 5-Tert-butyl-3-phenyl-1,2-oxazole?
The molecular formula of 5-Tert-butyl-3-phenyl-1,2-oxazole is C13H15NO.
What is the molecular weight of 5-Tert-butyl-3-phenyl-1,2-oxazole?
The molecular weight of 5-Tert-butyl-3-phenyl-1,2-oxazole is 201.11537 g/mol.
Where can I buy 5-Tert-butyl-3-phenyl-1,2-oxazole?
You can request a quote for 5-Tert-butyl-3-phenyl-1,2-oxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-3-phenyl-1,2-oxazole?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-3-phenyl-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.