![5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile structure](/static/products/613/613650-40-1.png)
5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613650-40-1) is a chemical compound with molecular formula C19H15N3O3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile, 5-((benzo[d][1,3]dioxol-4-ylmethyl)amino)-2-(p-tolyl)oxazole-4-carbonitrile, 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile, REGID_for_CID_892015
| Molecular Formula | C19H15N3O3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.8625 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.11133 |
| Heavy Atoms | 25 |
| Complexity | 955.03595 |
Chemical Identifiers
| CAS Number | 613650-40-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=C4C(=CC=C3)OCO4)C#N |
Product Overview
5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613650-40-1), with molecular formula C19H15N3O3 and molecular weight 333.11 g/mol. IUPAC: 5-(1,3-benzodioxol-4-ylmethylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 3.8625 indicates that 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-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-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-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-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is 613650-40-1.
What is the molecular formula of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is C19H15N3O3.
What is the molecular weight of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is 333.11 g/mol.
Where can I buy 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-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-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1,3-benzodioxol-4-ylmethyl)amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.