About 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59486627) has the molecular formula C25H28ClN3O4
and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.
Molecular Properties
| Compound Name | 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide |
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| PubChem CID | 59486627 |
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| Molecular Formula | C25H28ClN3O4 |
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| Molecular Weight | 469.97 g/mol |
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| Exact Mass | 469.18 |
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| IUPAC Name | 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide |
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| SMILES | CC(C)N(O)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(CO)cc3)o2)CC1 |
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| InChI | InChI=1S/C25H28ClN3O4/c1-16(2)29(32)25(31)28-13-11-20(12-14-28)24-27-22(18-7-9-21(26)10-8-18)23(33-24)19-5-3-17(15-30)4-6-19/h3-10,16,20,30,32H,11-15H2,1-2H3 |
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| InChIKey | ZFLRXOJHBJICBB-UHFFFAOYSA-N |
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| XLogP | 5.55 |
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| TPSA | 90.04 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 469.97 |
| LogP ≤ 5 | 5.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'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 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (CID 59486627) is 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is CC(C)N(O)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(CO)cc3)o2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is ZFLRXOJHBJICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-16(2)29(32)25(31)28-13-11-20(12-14-28)24-27-22(18-7-9-21(26)10-8-18)23(33-24)19-5-3-17(15-30)4-6-19/h3-10,16,20,30,32H,11-15H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59486627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).