![5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile structure](/static/products/6469/646991-98-2.webp)
5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
TL;DR: 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 646991-98-2) is a chemical compound with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-ethoxypropylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: AB00339305-02, AS-871/42287472, 5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-(3-ethoxypropylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C16H18FN3O3 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 3.10288 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 319.1332 |
| Heavy Atoms | 23 |
| Complexity | 649.5803 |
Chemical Identifiers
| CAS Number | 646991-98-2 |
|---|---|
| SMILES | CCOCCCNC1=C(N=C(O1)COC2=CC=C(C=C2)F)C#N |
Product Overview
5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 646991-98-2), with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol. IUPAC: 5-(3-ethoxypropylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Property Insights of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
The XLogP value of 3.10288 indicates that 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-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 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The CAS number of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is 646991-98-2.
What is the molecular formula of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is C16H18FN3O3.
What is the molecular weight of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is 319.13 g/mol.
Where can I buy 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-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 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.