![5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile structure](/static/products/797/797796-89-5.png)
5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
TL;DR: 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 797796-89-5) is a chemical compound with molecular formula C18H12N4O5 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile, 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C18H12N4O5 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 3.46228 |
| Topological Polar Surface Area | 123.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.08078 |
| Heavy Atoms | 27 |
| Complexity | 1052.6042 |
Chemical Identifiers
| CAS Number | 797796-89-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N |
Product Overview
5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 797796-89-5), with molecular formula C18H12N4O5 and molecular weight 364.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
Property Insights of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
The XLogP value of 3.46228 indicates that 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 8 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-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The CAS number of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 797796-89-5.
What is the molecular formula of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular formula of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is C18H12N4O5.
What is the molecular weight of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular weight of 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 364.08 g/mol.
Where can I buy 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
You can request a quote for 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)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-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.