![1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone structure](/static/products/5779/577990-91-1.webp)
1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
TL;DR: 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone (CAS 577990-91-1) is a chemical compound with molecular formula C13H15N3O4 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
Also Known As: 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone, 1-(2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl)ethanone, 1-[2,2-Dimethyl-5-(4-methyl-3-nitro-phenyl)-[1,3,4]oxadiazol-3-yl]-ethanone, 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one, 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
| Molecular Formula | C13H15N3O4 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.10626 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 577990-91-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(O2)(C)C)C(=O)C)[N+](=O)[O-] |
| InChIKey | MQTHLODMWLPNBE-UHFFFAOYSA-N |
Product Overview
1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone (CAS 577990-91-1), with molecular formula C13H15N3O4 and molecular weight 277.11 g/mol. IUPAC: 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone.
Chemical Property Profile of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
Property Insights of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone. Following Lipinski's Rule of Five, 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone has 0 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 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The CAS number of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone is 577990-91-1.
What is the molecular formula of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The molecular formula of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone is C13H15N3O4.
What is the molecular weight of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The molecular weight of 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone is 277.11 g/mol.
Where can I buy 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone?
You can request a quote for 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,2-Dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.