5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine
TL;DR: 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine (CAS 134918-37-9) is a chemical compound with molecular formula C13H16N4O3 and molecular weight 276.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5,5-dimethyl-3-(4-nitrophenyl)-1,2,4-oxadiazol-4-yl]propan-2-imine
Also Known As: N-[5,5-dimethyl-3-(4-nitrophenyl)-1,2,4-oxadiazol-4-yl]propan-2-imine, 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine
Technical Specifications
| Molecular Formula | C13H16N4O3 |
| Molecular Weight | 276.12225 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.12225 Da |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
| SMILES | CC(=NN1C(=NOC1(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | UOOSYMHFZFFWDM-UHFFFAOYSA-N |
Chemical Property Profile of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine
Property Insights of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine. Following Lipinski's Rule of Five, 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine 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
What is the CAS number of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine?
The CAS number of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine is 134918-37-9.
What is the molecular formula of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine?
The molecular formula of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine is C13H16N4O3.
What is the molecular weight of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine?
The molecular weight of 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine is 276.12225 g/mol.
Where can I buy 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine?
You can request a quote for 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine?
Yes, CoreyChem provides custom synthesis services for 5,5-dimethyl-3-(4-nitrophenyl)-N-(propan-2-ylidene)-1,2,4-oxadiazol-4(5H)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.