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

C26H31FN4O4 — CID 22274072

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

N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274072) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 22274072
• Molecular Formula: C26H31FN4O4
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.23
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(CNCCCN4CCCC4=O)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H31FN4O4/c1-18(32)29-16-22-17-31(26(34)35-22)21-9-10-23(24(27)14-21)20-7-5-19(6-8-20)15-28-11-3-13-30-12-2-4-25(30)33/h5-10,14,22,28H,2-4,11-13,15-17H2,1H3,(H,29,32)
• InChIKey: ZQOXPMPNGMYYFK-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274072) is N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CNCCCN4CCCC4=O)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is ZQOXPMPNGMYYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-18(32)29-16-22-17-31(26(34)35-22)21-9-10-23(24(27)14-21)20-7-5-19(6-8-20)15-28-11-3-13-30-12-2-4-25(30)33/h5-10,14,22,28H,2-4,11-13,15-17H2,1H3,(H,29,32).

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

N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 482.56 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).