HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22048639Generated: October 27, 2026
4-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}butyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
https://huagongshe.com/en/chemical/22048639
Identifiers & Physical Properties
| Molecular formula | C30H37N3O4 |
|---|
| Average molar mass | 503.6 g/mol |
|---|
| SMILES | Cc1onc(-c2ccccc2)c1C(=O)OCCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1 |
|---|
| InChIKey | FGEGOFCJCUFCGX-UHFFFAOYSA-N |
|---|
| PubChem CID | 22048639 |
|---|
Chemical & Physical Properties
| XLogP | 5.5 |
|---|
| Topological polar surface area | 84.7 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 11 |
|---|
| Heavy atoms | 37 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 718 |
|---|
![4-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}butyl 5-methyl-3-phenyl-4-isoxazolecarboxylate molecular structure](/img/chemical/22048639.png)