N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C26H23ClFN3O7 — CID 134322904

About N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 134322904) has the molecular formula C26H23ClFN3O7 and a molecular weight of 543.94 g/mol. Its IUPAC name is N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• PubChem CID: 134322904
• Molecular Formula: C26H23ClFN3O7
• Molecular Weight: 543.94 g/mol
• Exact Mass: 543.12
• IUPAC Name: N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC2(c3ccc(C=O)c(-c4ccc(F)c(Cl)c4)n3)CNC(=O)O2)ccc1OCCO
• InChI: InChI=1S/C26H23ClFN3O7/c1-36-21-11-16(3-6-20(21)37-9-8-32)24(34)29-13-26(14-30-25(35)38-26)22-7-4-17(12-33)23(31-22)15-2-5-19(28)18(27)10-15/h2-7,10-12,32H,8-9,13-14H2,1H3,(H,29,34)(H,30,35)
• InChIKey: WJCSTUOQRJESKD-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 136.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.94
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The IUPAC name of N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 134322904) is N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

What is the SMILES notation for N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The canonical SMILES for N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC2(c3ccc(C=O)c(-c4ccc(F)c(Cl)c4)n3)CNC(=O)O2)ccc1OCCO.

What is the InChIKey of N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The InChIKey is WJCSTUOQRJESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O7/c1-36-21-11-16(3-6-20(21)37-9-8-32)24(34)29-13-26(14-30-25(35)38-26)22-7-4-17(12-33)23(31-22)15-2-5-19(28)18(27)10-15/h2-7,10-12,32H,8-9,13-14H2,1H3,(H,29,34)(H,30,35).

What are the key properties of N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 543.94 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[6-(3-chloro-4-fluorophenyl)-5-formyl-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 134322904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).