![2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile structure](/static/products/646/646994-45-8.png)
2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
TL;DR: 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile (CAS 646994-45-8) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
Also Known As: 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile, 2-((3-chlorophenoxy)methyl)-5-((3,4-dimethoxyphenethyl)amino)oxazole-4-carbonitrile, 2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.45048 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 1013.40106 |
Chemical Identifiers
| CAS Number | 646994-45-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC(=CC=C3)Cl)C#N)OC |
Product Overview
2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile (CAS 646994-45-8), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: 2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Property Insights of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
The XLogP value of 4.45048 indicates that 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile?
The CAS number of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile is 646994-45-8.
What is the molecular formula of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile is C21H20ClN3O4.
What is the molecular weight of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile is 413.11 g/mol.
Where can I buy 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-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-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.