2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
TL;DR: 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile (CAS 613651-04-0) is a chemical compound with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile, 5-((3-morpholinopropyl)amino)-2-(m-tolyl)oxazole-4-carbonitrile, 2-(3-methylphenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 2.6559 |
| Topological Polar Surface Area | 74.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 714.04913 |
Chemical Identifiers
| CAS Number | 613651-04-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=C(O2)NCCCN3CCOCC3)C#N |
Product Overview
2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile (CAS 613651-04-0), with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol. IUPAC: 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
Property Insights of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
The XLogP value of 2.6559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile. The TPSA of 74.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-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 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile is 613651-04-0.
What is the molecular formula of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile is C18H22N4O2.
What is the molecular weight of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile is 326.17 g/mol.
Where can I buy 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-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-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylphenyl)-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.