2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole
TL;DR: 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole (CAS 4237-87-0) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5-trimethyl-4H-1,3-oxazole
Also Known As: 2,5,5-Trimethyloxazoline, 2,5,5-trimethyl-4,5-dihydro-1,3-oxazole, 2,5,5-trimethyl-4H-1,3-oxazole, 2,5,5-Trimethyl-4,5-dihydrooxazole, 2,5,5-Trimethyl-4,5-dihydro-oxazol
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 4237-87-0 |
|---|---|
| SMILES | CC1=NCC(O1)(C)C |
| InChIKey | XXIYMLVQHMYCHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole (CAS 4237-87-0), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 2,5,5-trimethyl-4H-1,3-oxazole.
Chemical Property Profile of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole
Property Insights of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole. With a topological polar surface area (TPSA) of 21.6 Ų, 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,5-Trimethyl-4,5-dihydro-1,3-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
Frequently Asked Questions
What is the CAS number of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole?
The CAS number of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole is 4237-87-0.
What is the molecular formula of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole?
The molecular formula of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole is C6H11NO.
What is the molecular weight of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole?
The molecular weight of 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole is 113.08 g/mol.
Where can I buy 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole?
You can request a quote for 2,5,5-Trimethyl-4,5-dihydro-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 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.