6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid

C27H31FN6O8 — CID 166759432

About 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid

6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid (PubChem CID 166759432) has the molecular formula C27H31FN6O8 and a molecular weight of 586.58 g/mol. Its IUPAC name is 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid.

Molecular Properties

• Compound Name: 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
• PubChem CID: 166759432
• Molecular Formula: C27H31FN6O8
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.22
• IUPAC Name: 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
• SMILES: CC(=O)N1CC(Oc2cc(F)c3c(c2)CC(CNCCC2CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O2)C3)C1.O=CO
• InChI: InChI=1S/C26H29FN6O6.CH2O2/c1-14(34)32-10-19(11-32)38-18-6-16-4-15(5-20(16)21(27)7-18)8-28-3-2-17-12-33(26(36)39-17)22-9-29-25-24(30-22)31-23(35)13-37-25;2-1-3/h6-7,9,15,17,19,28H,2-5,8,10-13H2,1H3,(H,30,31,35);1H,(H,2,3)
• InChIKey: UTTCHNISDSOKEF-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 172.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid?

The IUPAC name of 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid (CID 166759432) is 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid.

What is the SMILES notation for 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid?

The canonical SMILES for 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid is CC(=O)N1CC(Oc2cc(F)c3c(c2)CC(CNCCC2CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O2)C3)C1.O=CO.

What is the InChIKey of 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid?

The InChIKey is UTTCHNISDSOKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O6.CH2O2/c1-14(34)32-10-19(11-32)38-18-6-16-4-15(5-20(16)21(27)7-18)8-28-3-2-17-12-33(26(36)39-17)22-9-29-25-24(30-22)31-23(35)13-37-25;2-1-3/h6-7,9,15,17,19,28H,2-5,8,10-13H2,1H3,(H,30,31,35);1H,(H,2,3).

What are the key properties of 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid?

6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid has a molecular weight of 586.58 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid is sourced from PubChem (CID 166759432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).