N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide

C25H26F3N3O4 — CID 59486748

About N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 59486748) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 59486748
• Molecular Formula: C25H26F3N3O4
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
• SMILES: CCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)CC1
• InChI: InChI=1S/C25H26F3N3O4/c1-3-31(33)24(32)30-14-12-18(13-15-30)23-29-21(16-6-10-20(34-2)11-7-16)22(35-23)17-4-8-19(9-5-17)25(26,27)28/h4-11,18,33H,3,12-15H2,1-2H3
• InChIKey: SERHZNXNAJFXON-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 79.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 59486748) is N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is CCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)CC1.

What is the InChIKey of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?

The InChIKey is SERHZNXNAJFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c1-3-31(33)24(32)30-14-12-18(13-15-30)23-29-21(16-6-10-20(34-2)11-7-16)22(35-23)17-4-8-19(9-5-17)25(26,27)28/h4-11,18,33H,3,12-15H2,1-2H3.

What are the key properties of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?

N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 59486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).