![N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide structure](/static/products/727/727364-99-0.png)
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
TL;DR: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide (CAS 727364-99-0) is a chemical compound with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-nitro-N-propan-2-ylbenzamide
Also Known As: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide, N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-nitro-N-propan-2-ylbenzamide, N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-methyl-4-nitrobenzamide
| Molecular Formula | C21H22N4O5 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 4.01262 |
| Topological Polar Surface Area | 111.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.15903 |
| Heavy Atoms | 30 |
| Complexity | 1059.5137 |
Chemical Identifiers
| CAS Number | 727364-99-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)OC)C(C)C)[N+](=O)[O-] |
Product Overview
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide (CAS 727364-99-0), with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol. IUPAC: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-nitro-N-propan-2-ylbenzamide.
Chemical Property Profile of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
Property Insights of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
The XLogP value of 4.01262 indicates that N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide. Following Lipinski's Rule of Five, N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide has 0 hydrogen bond donor(s) and 7 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 N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The CAS number of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide is 727364-99-0.
What is the molecular formula of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The molecular formula of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide is C21H22N4O5.
What is the molecular weight of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The molecular weight of N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide is 410.16 g/mol.
Where can I buy N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide?
You can request a quote for N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.