About 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 162660218) has the molecular formula C27H28F3N3O5
and a molecular weight of 531.53 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
Molecular Properties
| Compound Name | 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide |
|---|
| PubChem CID | 162660218 |
|---|
| Molecular Formula | C27H28F3N3O5 |
|---|
| Molecular Weight | 531.53 g/mol |
|---|
| Exact Mass | 531.20 |
|---|
| IUPAC Name | 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide |
|---|
| SMILES | COc1ccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1 |
|---|
| InChI | InChI=1S/C27H28F3N3O5/c1-35-19-10-8-18(9-11-19)31-26(34)33-14-12-20(13-15-33)36-16-22-24(32-38-25(22)17-6-7-17)21-4-2-3-5-23(21)37-27(28,29)30/h2-5,8-11,17,20H,6-7,12-16H2,1H3,(H,31,34) |
|---|
| InChIKey | NPWXJSRCBGCPFQ-UHFFFAOYSA-N |
|---|
| XLogP | 6.34 |
|---|
| TPSA | 86.06 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 531.53 |
| LogP ≤ 5 | 6.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 162660218) is 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1.
What is the InChIKey of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is NPWXJSRCBGCPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O5/c1-35-19-10-8-18(9-11-19)31-26(34)33-14-12-20(13-15-33)36-16-22-24(32-38-25(22)17-6-7-17)21-4-2-3-5-23(21)37-27(28,29)30/h2-5,8-11,17,20H,6-7,12-16H2,1H3,(H,31,34).
What are the key properties of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 531.53 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 162660218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).