2-(1,2-Oxazol-5-yl)acetonitrile
TL;DR: 2-(1,2-Oxazol-5-yl)acetonitrile (CAS 854137-77-2) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-oxazol-5-yl)acetonitrile
Also Known As: 5-Isoxazoleacetonitrile, Isoxazole-5-acetonitrile, ISOXAZOL-5-YLACETONITRILE, 2-(1,2-oxazol-5-yl)acetonitrile, (isoxazol-5-yl)acetonitrile
| Molecular Formula | C5H4N2O |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 0.74068 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.032364 |
| Heavy Atoms | 8 |
| Complexity | 184.69363 |
Chemical Identifiers
| CAS Number | 854137-77-2 |
|---|---|
| SMILES | C1=C(ON=C1)CC#N |
Product Overview
2-(1,2-Oxazol-5-yl)acetonitrile (CAS 854137-77-2), with molecular formula C5H4N2O and molecular weight 108.03 g/mol. IUPAC: 2-(1,2-oxazol-5-yl)acetonitrile.
Chemical Property Profile of 2-(1,2-Oxazol-5-yl)acetonitrile
Property Insights of 2-(1,2-Oxazol-5-yl)acetonitrile
The XLogP value of 0.74068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2-Oxazol-5-yl)acetonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 2-(1,2-Oxazol-5-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Oxazol-5-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 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-(1,2-Oxazol-5-yl)acetonitrile?
The CAS number of 2-(1,2-Oxazol-5-yl)acetonitrile is 854137-77-2.
What is the molecular formula of 2-(1,2-Oxazol-5-yl)acetonitrile?
The molecular formula of 2-(1,2-Oxazol-5-yl)acetonitrile is C5H4N2O.
What is the molecular weight of 2-(1,2-Oxazol-5-yl)acetonitrile?
The molecular weight of 2-(1,2-Oxazol-5-yl)acetonitrile is 108.03 g/mol.
Where can I buy 2-(1,2-Oxazol-5-yl)acetonitrile?
You can request a quote for 2-(1,2-Oxazol-5-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2-Oxazol-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Oxazol-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.