Benzoxazole
TL;DR: Benzoxazole (CAS 273-53-0) is a chemical compound with molecular formula C7H5NO and molecular weight 119.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzoxazole
Also Known As: BENZOXAZOLE, 1,3-Benzoxazole, Benzooxazole, 1-Oxa-3-azaindene, BENZO[D]OXAZOLE
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO |
| Molecular Weight | 119.03712 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.03712 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Vapor Pressure | 0.24 [mmHg] |
| SMILES | C1=CC=C2C(=C1)N=CO2 |
| InChIKey | BCMCBBGGLRIHSE-UHFFFAOYSA-N |
Product Description
Applications: Benzoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzoxazole (CAS 273-53-0) is a heterocyclic building block with the molecular formula C7H5NO and a molecular weight of 119.04 g/mol. Synonyms include BENZOXAZOLE and 1,3-Benzoxazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoxazole
Property Insights of Benzoxazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole 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 Benzoxazole?
The CAS number of Benzoxazole is 273-53-0.
What is the molecular formula of Benzoxazole?
The molecular formula of Benzoxazole is C7H5NO.
What is the molecular weight of Benzoxazole?
The molecular weight of Benzoxazole is 119.03712 g/mol.
What are the applications of Benzoxazole?
Benzoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzoxazole?
You can request a quote for Benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoxazole?
Yes, CoreyChem provides custom synthesis services for Benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.