2-Benzyl-4,5-dihydro-1,3-oxazole
TL;DR: 2-Benzyl-4,5-dihydro-1,3-oxazole (CAS 10431-95-5) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,5-dihydro-1,3-oxazole
Also Known As: 2-Benzyl-4,5-dihydro-1,3-oxazole, 2-benzyl-2-oxazoline, 2-Benzyl-2-oxazolin, 2-Benzyl-4,5-dihydrooxazole, 2-Benzyl-1,3-oxazol-2-ine
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 10431-95-5 |
|---|---|
| SMILES | C1COC(=N1)CC2=CC=CC=C2 |
| InChIKey | GKPDXYQIQIJZJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-4,5-dihydro-1,3-oxazole (CAS 10431-95-5), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 2-benzyl-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 2-Benzyl-4,5-dihydro-1,3-oxazole
Property Insights of 2-Benzyl-4,5-dihydro-1,3-oxazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4,5-dihydro-1,3-oxazole. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Benzyl-4,5-dihydro-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-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-Benzyl-4,5-dihydro-1,3-oxazole?
The CAS number of 2-Benzyl-4,5-dihydro-1,3-oxazole is 10431-95-5.
What is the molecular formula of 2-Benzyl-4,5-dihydro-1,3-oxazole?
The molecular formula of 2-Benzyl-4,5-dihydro-1,3-oxazole is C10H11NO.
What is the molecular weight of 2-Benzyl-4,5-dihydro-1,3-oxazole?
The molecular weight of 2-Benzyl-4,5-dihydro-1,3-oxazole is 161.08 g/mol.
Where can I buy 2-Benzyl-4,5-dihydro-1,3-oxazole?
You can request a quote for 2-Benzyl-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-Benzyl-4,5-dihydro-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.