2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
TL;DR: 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CAS 518351-41-2) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
Also Known As: 2-Isobutyl-5-morpholinooxazole-4-carbonitrile, 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile, 2-(2-methylpropyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile, AS-871/41319306, 2-isobutyl-5-(4-morpholinyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 518351-41-2 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(O1)N2CCOCC2)C#N |
| InChIKey | XPIDXFSJYHJOGO-UHFFFAOYSA-N |
Product Overview
2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CAS 518351-41-2), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
Property Insights of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is 518351-41-2.
What is the molecular formula of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is C12H17N3O2.
What is the molecular weight of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is 235.13 g/mol.
Where can I buy 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(2-Methylpropyl)-5-morpholin-4-yl-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-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.