4-Methyloxazole-5-carbonitrile
TL;DR: 4-Methyloxazole-5-carbonitrile (CAS 1003-52-7) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.032364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1,3-oxazole-5-carbonitrile
Also Known As: 4-Methyloxazole-5-carbonitrile, 4-Methyl-1,3-oxazole-5-carbonitrile, 5-Oxazolecarbonitrile, 4-methyl-, 4-methyl-5-cyanooxazole, 5-Cyano-4-methyloxazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4N2O |
| Molecular Weight | 108.032364 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.032364 Da |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
| SMILES | CC1=C(OC=N1)C#N |
| InChIKey | JZSLPQXOLZCAME-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyloxazole-5-carbonitrile
Property Insights of 4-Methyloxazole-5-carbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyloxazole-5-carbonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Methyloxazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyloxazole-5-carbonitrile 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 4-Methyloxazole-5-carbonitrile?
The CAS number of 4-Methyloxazole-5-carbonitrile is 1003-52-7.
What is the molecular formula of 4-Methyloxazole-5-carbonitrile?
The molecular formula of 4-Methyloxazole-5-carbonitrile is C5H4N2O.
What is the molecular weight of 4-Methyloxazole-5-carbonitrile?
The molecular weight of 4-Methyloxazole-5-carbonitrile is 108.032364 g/mol.
Where can I buy 4-Methyloxazole-5-carbonitrile?
You can request a quote for 4-Methyloxazole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyloxazole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Methyloxazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.