3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile
TL;DR: 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile (CAS 330558-30-0) is a chemical compound with molecular formula C9H5N3O and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-1,2-oxazole-5-carbonitrile
Also Known As: BAS 03213352, 3-Pyridin-3-yl-isoxazole-5-carbonitrile, 3-(pyridin-3-yl)-1,2-oxazole-5-carbonitrile, 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile
| Molecular Formula | C9H5N3O |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.04326 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 330558-30-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NOC(=C2)C#N |
| InChIKey | XHCWYDZYJBRMMQ-UHFFFAOYSA-N |
Product Overview
3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile (CAS 330558-30-0), with molecular formula C9H5N3O and molecular weight 171.04 g/mol. IUPAC: 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile.
Chemical Property Profile of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile
Property Insights of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile. Following Lipinski's Rule of Five, 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile 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 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile?
The CAS number of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile is 330558-30-0.
What is the molecular formula of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile?
The molecular formula of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile is C9H5N3O.
What is the molecular weight of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile?
The molecular weight of 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile is 171.04 g/mol.
Where can I buy 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile?
You can request a quote for 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-3-yl)-1,2-oxazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.