About 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 46833808) has the molecular formula C28H23F3N4O4
and a molecular weight of 536.51 g/mol. Its IUPAC name is 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
Molecular Properties
| Compound Name | 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid |
|---|
| PubChem CID | 46833808 |
|---|
| Molecular Formula | C28H23F3N4O4 |
|---|
| Molecular Weight | 536.51 g/mol |
|---|
| Exact Mass | 536.17 |
|---|
| IUPAC Name | 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid |
|---|
| SMILES | O=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)nc1 |
|---|
| InChI | InChI=1S/C28H23F3N4O4/c29-28(30,31)24-23(34-26(39-24)19-4-2-1-3-5-19)25(36)33-21-9-6-17(7-10-21)18-12-14-35(15-13-18)22-11-8-20(16-32-22)27(37)38/h1-11,16,18H,12-15H2,(H,33,36)(H,37,38) |
|---|
| InChIKey | JTRIRWFHXCNJRC-UHFFFAOYSA-N |
|---|
| XLogP | 6.09 |
|---|
| TPSA | 108.56 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 536.51 |
| LogP ≤ 5 | 6.09 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid 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 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 46833808) is 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is JTRIRWFHXCNJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O4/c29-28(30,31)24-23(34-26(39-24)19-4-2-1-3-5-19)25(36)33-21-9-6-17(7-10-21)18-12-14-35(15-13-18)22-11-8-20(16-32-22)27(37)38/h1-11,16,18H,12-15H2,(H,33,36)(H,37,38).
What are the key properties of 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 536.51 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 46833808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).