N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H26FN5O6 — CID 10205744

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

N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10205744) has the molecular formula C22H26FN5O6 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10205744
• Molecular Formula: C22H26FN5O6
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3C)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H26FN5O6/c1-14-11-25(12-17-4-6-21(33-17)28(31)32)7-8-26(14)20-5-3-16(9-19(20)23)27-13-18(34-22(27)30)10-24-15(2)29/h3-6,9,14,18H,7-8,10-13H2,1-2H3,(H,24,29)/t14?,18-/m0/s1
• InChIKey: QJUHJINNIKCAGA-IBYPIGCZSA-N
• XLogP: 2.50
• TPSA: 121.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10205744) is N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3C)c(F)c2)C(=O)O1.

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

The InChIKey is QJUHJINNIKCAGA-IBYPIGCZSA-N. The full InChI is InChI=1S/C22H26FN5O6/c1-14-11-25(12-17-4-6-21(33-17)28(31)32)7-8-26(14)20-5-3-16(9-19(20)23)27-13-18(34-22(27)30)10-24-15(2)29/h3-6,9,14,18H,7-8,10-13H2,1-2H3,(H,24,29)/t14?,18-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[2-methyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).