2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile
TL;DR: 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile (CAS 613651-67-5) is a chemical compound with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(2-chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile, SDCCGMLS-0006752.P002, 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile, 2-(2-chlorophenyl)-5-(dimethylamino)-4-oxazolecarbonitrile
| Molecular Formula | C12H10ClN3O |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.93268 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05124 |
| Heavy Atoms | 17 |
| Complexity | 583.67694 |
Chemical Identifiers
| CAS Number | 613651-67-5 |
|---|---|
| SMILES | CN(C)C1=C(N=C(O1)C2=CC=CC=C2Cl)C#N |
Product Overview
2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile (CAS 613651-67-5), with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol. IUPAC: 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile
Property Insights of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile
The XLogP value of 2.93268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile. With a topological polar surface area (TPSA) of 53.06 Ų, 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-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 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile?
The CAS number of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile is 613651-67-5.
What is the molecular formula of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile?
The molecular formula of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile is C12H10ClN3O.
What is the molecular weight of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile?
The molecular weight of 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile is 247.05 g/mol.
Where can I buy 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile?
You can request a quote for 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.