2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide

C25H28FN5O6 — CID 156862650

About 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide

2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide (PubChem CID 156862650) has the molecular formula C25H28FN5O6 and a molecular weight of 513.53 g/mol. Its IUPAC name is 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide
• PubChem CID: 156862650
• Molecular Formula: C25H28FN5O6
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.20
• IUPAC Name: 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide
• SMILES: CNC(=O)COc1cc(F)c2c(c1)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C25H28FN5O6/c1-27-22(32)12-35-17-8-15-6-14(7-18(15)19(26)9-17)10-28-5-4-16-11-31(25(34)37-16)21-3-2-20-24(29-21)30-23(33)13-36-20/h2-3,8-9,14,16,28H,4-7,10-13H2,1H3,(H,27,32)(H,29,30,33)
• InChIKey: JKRKVPOVVALRLK-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 131.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide?

The IUPAC name of 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide (CID 156862650) is 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide.

What is the SMILES notation for 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide?

The canonical SMILES for 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide is CNC(=O)COc1cc(F)c2c(c1)CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.

What is the InChIKey of 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide?

The InChIKey is JKRKVPOVVALRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O6/c1-27-22(32)12-35-17-8-15-6-14(7-18(15)19(26)9-17)10-28-5-4-16-11-31(25(34)37-16)21-3-2-20-24(29-21)30-23(33)13-36-20/h2-3,8-9,14,16,28H,4-7,10-13H2,1H3,(H,27,32)(H,29,30,33).

What are the key properties of 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide?

2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide has a molecular weight of 513.53 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 156862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).