![5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole structure](/static/products/1022/1022686-07-2.webp)
5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
TL;DR: 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CAS 1022686-07-2) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
Also Known As: 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole, 1,3-benzodioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone, Benzo[1,3]dioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.75102 |
| Topological Polar Surface Area | 77.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 1028.3849 |
Chemical Identifiers
| CAS Number | 1022686-07-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CAS 1022686-07-2), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
Chemical Property Profile of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
Property Insights of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
The XLogP value of 3.75102 indicates that 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has 0 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-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The CAS number of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is 1022686-07-2.
What is the molecular formula of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is C21H19N3O4.
What is the molecular weight of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is 377.14 g/mol.
Where can I buy 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.