3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile
TL;DR: 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile (CAS 116422-98-1) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanenitrile
Also Known As: 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanenitrile, (S)-2-Hexyloxy-propan-1-ol, 3-(dimethyl-1,2-oxazol-4-yl)propanenitrile, 3-(3,5-Dimethylisoxazol-4-yl)propanenitrile, 4-Isoxazolepropanenitrile,3,5-dimethyl-(9CI)
Technical Specifications
| Molecular Formula | C8H10N2O |
| Molecular Weight | 150.07932 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.07932 Da |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
| SMILES | CC1=C(C(=NO1)C)CCC#N |
| InChIKey | HWJIQXZPZGZUNU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile
Property Insights of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile 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
What is the CAS number of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile?
The CAS number of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile is 116422-98-1.
What is the molecular formula of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile?
The molecular formula of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile is C8H10N2O.
What is the molecular weight of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile?
The molecular weight of 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile is 150.07932 g/mol.
Where can I buy 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile?
You can request a quote for 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.