About [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (PubChem CID 70802637) has the molecular formula C26H26F3N5O2
and a molecular weight of 497.52 g/mol. Its IUPAC name is [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.
Molecular Properties
| Compound Name | [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone |
|---|
| PubChem CID | 70802637 |
|---|
| Molecular Formula | C26H26F3N5O2 |
|---|
| Molecular Weight | 497.52 g/mol |
|---|
| Exact Mass | 497.20 |
|---|
| IUPAC Name | [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone |
|---|
| SMILES | Cc1ncc(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)nc(C(F)(F)F)n5C(C)C)CC3)cc2)o1 |
|---|
| InChI | InChI=1S/C26H26F3N5O2/c1-16(2)34-22-9-6-19(14-21(22)31-25(34)26(27,28)29)24(35)33-12-10-32(11-13-33)20-7-4-18(5-8-20)23-15-30-17(3)36-23/h4-9,14-16H,10-13H2,1-3H3 |
|---|
| InChIKey | RIHAWNSRUYBLEJ-UHFFFAOYSA-N |
|---|
| XLogP | 5.56 |
|---|
| TPSA | 67.40 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 497.52 |
| LogP ≤ 5 | 5.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone 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-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The IUPAC name of [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (CID 70802637) is [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The canonical SMILES for [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is Cc1ncc(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)nc(C(F)(F)F)n5C(C)C)CC3)cc2)o1.
What is the InChIKey of [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The InChIKey is RIHAWNSRUYBLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-16(2)34-22-9-6-19(14-21(22)31-25(34)26(27,28)29)24(35)33-12-10-32(11-13-33)20-7-4-18(5-8-20)23-15-30-17(3)36-23/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
[4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone has a molecular weight of 497.52 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 70802637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).