2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile
TL;DR: 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile (CAS 646994-59-4) is a chemical compound with molecular formula C15H17ClN4O2 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenoxy)methyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile
Also Known As: 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile, 2-[(3-chlorophenoxy)methyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile, 2-[(3-chlorophenoxy)methyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile
| Molecular Formula | C15H17ClN4O2 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.104 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 646994-59-4 |
|---|---|
| SMILES | CN(C)CCNC1=C(N=C(O1)COC2=CC(=CC=C2)Cl)C#N |
| InChIKey | KKMICNLQNWYLJN-UHFFFAOYSA-N |
Product Overview
2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile (CAS 646994-59-4), with molecular formula C15H17ClN4O2 and molecular weight 320.10 g/mol. IUPAC: 2-[(3-chlorophenoxy)methyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile
Property Insights of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile
The XLogP value of 3.4 indicates that 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 6 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-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile?
The CAS number of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile is 646994-59-4.
What is the molecular formula of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile?
The molecular formula of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile is C15H17ClN4O2.
What is the molecular weight of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile?
The molecular weight of 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile is 320.10 g/mol.
Where can I buy 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile?
You can request a quote for 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)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-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-chlorophenoxy)methyl)-5-((2-(dimethylamino)ethyl)amino)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.