N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide

C26H31N3O4 — CID 59486882

About N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide

N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59486882) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 59486882
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: COc1ccc(-c2nc(C3CCN(C(=O)N(O)C(C)C)CC3)oc2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C26H31N3O4/c1-17(2)29(31)26(30)28-15-13-21(14-16-28)25-27-23(19-9-11-22(32-4)12-10-19)24(33-25)20-7-5-18(3)6-8-20/h5-12,17,21,31H,13-16H2,1-4H3
• InChIKey: QZMBDHJLGNHKAW-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 79.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	5.72
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-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 59486882) is N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3CCN(C(=O)N(O)C(C)C)CC3)oc2-c2ccc(C)cc2)cc1.

What is the InChIKey of N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is QZMBDHJLGNHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17(2)29(31)26(30)28-15-13-21(14-16-28)25-27-23(19-9-11-22(32-4)12-10-19)24(33-25)20-7-5-18(3)6-8-20/h5-12,17,21,31H,13-16H2,1-4H3.

What are the key properties of N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?

N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59486882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).