2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
TL;DR: 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CAS 613651-28-8) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(4-methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile, 2-(4-methoxyphenyl)-5-(((tetrahydrofuran-2-yl)methyl)amino)oxazole-4-carbonitrile, 2-(4-methoxyphenyl)-5-[(tetrahydro-2-furanylmethyl)amino]-1,3-oxazole-4-carbonitrile, 2-(4-methoxyphenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile, 2-(4-methoxyphenyl)-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.81278 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 666.93475 |
Chemical Identifiers
| CAS Number | 613651-28-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3CCCO3)C#N |
Product Overview
2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CAS 613651-28-8), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 2-(4-methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
Property Insights of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
The XLogP value of 2.81278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-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-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is 613651-28-8.
What is the molecular formula of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is C16H17N3O3.
What is the molecular weight of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is 299.13 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-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-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.