N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H29FN4O5 — CID 22274136

About N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274136) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 22274136
• Molecular Formula: C25H29FN4O5
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.21
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(C(O)CN4CCN(C=O)CC4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H29FN4O5/c1-17(32)27-13-21-14-30(25(34)35-21)20-6-7-22(23(26)12-20)18-2-4-19(5-3-18)24(33)15-28-8-10-29(16-31)11-9-28/h2-7,12,16,21,24,33H,8-11,13-15H2,1H3,(H,27,32)
• InChIKey: LBAYGVQLHQEQMC-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 102.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274136) is N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C(O)CN4CCN(C=O)CC4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is LBAYGVQLHQEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-17(32)27-13-21-14-30(25(34)35-21)20-6-7-22(23(26)12-20)18-2-4-19(5-3-18)24(33)15-28-8-10-29(16-31)11-9-28/h2-7,12,16,21,24,33H,8-11,13-15H2,1H3,(H,27,32).

What are the key properties of N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 484.53 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[2-(4-formylpiperazin-1-yl)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).