N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H26FN5O6 — CID 70814047

About N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70814047) has the molecular formula C22H26FN5O6 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 70814047
• Molecular Formula: C22H26FN5O6
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.19
• IUPAC Name: N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(C2=CCC(C34CNCC3C4N(C)c3ccc([N+](=O)[O-])o3)C(F)=C2)C(=O)O1
• InChI: InChI=1S/C22H26FN5O6/c1-12(29)25-8-14-10-27(21(30)33-14)13-3-4-15(17(23)7-13)22-11-24-9-16(22)20(22)26(2)18-5-6-19(34-18)28(31)32/h3,5-7,14-16,20,24H,4,8-11H2,1-2H3,(H,25,29)
• InChIKey: NJFDNGRSYABSFC-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 130.19 Ų
• H-Bond Donors: 2
• 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	1.93
H-Bond Donors ≤ 5	2
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-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70814047) is N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(C2=CCC(C34CNCC3C4N(C)c3ccc([N+](=O)[O-])o3)C(F)=C2)C(=O)O1.

What is the InChIKey of N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

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

What are the key properties of N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-fluoro-4-[6-[methyl-(5-nitrofuran-2-yl)amino]-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70814047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).