(2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (CAS 349541-58-8) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-(5-methyl-3-isoxazolyl)acrylamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(5-methylisoxazol-3-yl)acrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide, (2E)-3-(2H-1,3-BENZODIOXOL-5-YL)-N-(5-METHYL-1,2-OXAZOL-3-YL)PROP-2-ENAMIDE, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-N-(5-methylisoxazol-3-yl)prop-2-enam ide
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 349541-58-8 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | ZDLXZTOXDLFNLO-HWKANZROSA-N |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (CAS 349541-58-8), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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 (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is 349541-58-8.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is C14H12N2O4.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is 272.08 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.