![2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile structure](/static/products/100/1001979-07-2.png)
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
TL;DR: 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile (CAS 1001979-07-2) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
Also Known As: Benzonitrile, 2-[(3,5-dimethyl-4-isoxazolyl)methoxy]-
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.74212 |
| Topological Polar Surface Area | 59.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 547.5387 |
Chemical Identifiers
| CAS Number | 1001979-07-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC2=CC=CC=C2C#N |
Product Overview
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile (CAS 1001979-07-2), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile.
Chemical Property Profile of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
Property Insights of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile
The XLogP value of 2.74212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile. With a topological polar surface area (TPSA) of 59.05 Ų, 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile has 0 hydrogen bond donor(s) and 4 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-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile?
The CAS number of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile is 1001979-07-2.
What is the molecular formula of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile?
The molecular formula of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile is C13H12N2O2.
What is the molecular weight of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile?
The molecular weight of 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile is 228.09 g/mol.
Where can I buy 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile?
You can request a quote for 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.