2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile
TL;DR: 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile (CAS 197310-97-7) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile
Also Known As: 2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile, 3-Ethyl-5-methyl-4-isoxazoleacetonitrile, 2-(3-Ethyl-5-methylisoxazol-4-yl)acetonitrile, 4-Isoxazoleacetonitrile,3-ethyl-5-methyl-(9CI), (3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile
| Molecular Formula | C8H10N2O |
|---|---|
| Molecular Weight | 150.08 g/mol |
| LogP | 1.6115 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.07932 |
| Heavy Atoms | 11 |
| Complexity | 282.77243 |
Chemical Identifiers
| CAS Number | 197310-97-7 |
|---|---|
| SMILES | CCC1=NOC(=C1CC#N)C |
Product Overview
2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile (CAS 197310-97-7), with molecular formula C8H10N2O and molecular weight 150.08 g/mol. IUPAC: 2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile.
Chemical Property Profile of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile
Property Insights of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile
The XLogP value of 1.6115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Ethyl-5-methyl-1,2-oxazol-4-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-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile?
The CAS number of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile is 197310-97-7.
What is the molecular formula of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile?
The molecular formula of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile is C8H10N2O.
What is the molecular weight of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile?
The molecular weight of 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile is 150.08 g/mol.
Where can I buy 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile?
You can request a quote for 2-(3-Ethyl-5-methyl-1,2-oxazol-4-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-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.