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

C25H29FN6O6 — CID 156861873

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

N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (PubChem CID 156861873) has the molecular formula C25H29FN6O6 and a molecular weight of 528.54 g/mol. Its IUPAC name is N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
• PubChem CID: 156861873
• Molecular Formula: C25H29FN6O6
• Molecular Weight: 528.54 g/mol
• Exact Mass: 528.21
• IUPAC Name: N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
• SMILES: CCNC(=O)COc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C25H29FN6O6/c1-2-28-21(33)12-36-17-7-15-5-14(6-18(15)19(26)8-17)9-27-4-3-16-11-32(25(35)38-16)20-10-29-24-23(30-20)31-22(34)13-37-24/h7-8,10,14,16,27H,2-6,9,11-13H2,1H3,(H,28,33)(H,30,31,34)
• InChIKey: GURQZRPWDVNYRU-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 144.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.54
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (CID 156861873) is N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.

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

The canonical SMILES for N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is CCNC(=O)COc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.

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

The InChIKey is GURQZRPWDVNYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O6/c1-2-28-21(33)12-36-17-7-15-5-14(6-18(15)19(26)8-17)9-27-4-3-16-11-32(25(35)38-16)20-10-29-24-23(30-20)31-22(34)13-37-24/h7-8,10,14,16,27H,2-6,9,11-13H2,1H3,(H,28,33)(H,30,31,34).

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

N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide has a molecular weight of 528.54 g/mol, XLogP of 1.18, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is sourced from PubChem (CID 156861873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).