About N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 162554624) has the molecular formula C24H21F3N4O3
and a molecular weight of 470.45 g/mol. Its IUPAC name is N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.
Molecular Properties
| Compound Name | N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide |
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| PubChem CID | 162554624 |
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| Molecular Formula | C24H21F3N4O3 |
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| Molecular Weight | 470.45 g/mol |
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| Exact Mass | 470.16 |
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| IUPAC Name | N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide |
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| SMILES | N#CCN(O)C(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)o2)CC1 |
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| InChI | InChI=1S/C24H21F3N4O3/c25-24(26,27)19-8-6-16(7-9-19)20-21(17-4-2-1-3-5-17)34-22(29-20)18-10-13-30(14-11-18)23(32)31(33)15-12-28/h1-9,18,33H,10-11,13-15H2 |
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| InChIKey | BGUJNYPBPQGLFF-UHFFFAOYSA-N |
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| XLogP | 5.54 |
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| TPSA | 93.60 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 470.45 |
| LogP ≤ 5 | 5.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 162554624) is N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is N#CCN(O)C(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is BGUJNYPBPQGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)19-8-6-16(7-9-19)20-21(17-4-2-1-3-5-17)34-22(29-20)18-10-13-30(14-11-18)23(32)31(33)15-12-28/h1-9,18,33H,10-11,13-15H2.
What are the key properties of N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 162554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).