2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide

C23H23ClN4O4 — CID 174592054

About 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide

2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide (PubChem CID 174592054) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
• PubChem CID: 174592054
• Molecular Formula: C23H23ClN4O4
• Molecular Weight: 454.91 g/mol
• Exact Mass: 454.14
• IUPAC Name: 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(C(=O)NO)c2ccccc2)CC1
• InChI: InChI=1S/C23H23ClN4O4/c1-15-19(20(26-32-15)17-9-5-6-10-18(17)24)23(30)28-13-11-27(12-14-28)21(22(29)25-31)16-7-3-2-4-8-16/h2-10,21,31H,11-14H2,1H3,(H,25,29)
• InChIKey: YCPKYENVINHPMN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 98.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.91
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?

The IUPAC name of 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide (CID 174592054) is 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide.

What is the SMILES notation for 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?

The canonical SMILES for 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(C(=O)NO)c2ccccc2)CC1.

What is the InChIKey of 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?

The InChIKey is YCPKYENVINHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-15-19(20(26-32-15)17-9-5-6-10-18(17)24)23(30)28-13-11-27(12-14-28)21(22(29)25-31)16-7-3-2-4-8-16/h2-10,21,31H,11-14H2,1H3,(H,25,29).

What are the key properties of 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?

2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide has a molecular weight of 454.91 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 174592054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).