6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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

C25H27FN8O5 — CID 156861981

About 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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

6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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 (PubChem CID 156861981) has the molecular formula C25H27FN8O5 and a molecular weight of 538.54 g/mol. Its IUPAC name is 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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.

Molecular Properties

• Compound Name: 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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
• PubChem CID: 156861981
• Molecular Formula: C25H27FN8O5
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.21
• IUPAC Name: 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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
• SMILES: O=C1COc2ncc(N3CC(CCNCC4Cc5cc(OCCn6cncn6)cc(F)c5C4)OC3=O)nc2N1
• InChI: InChI=1S/C25H27FN8O5/c26-20-8-18(37-4-3-33-14-28-13-30-33)7-16-5-15(6-19(16)20)9-27-2-1-17-11-34(25(36)39-17)21-10-29-24-23(31-21)32-22(35)12-38-24/h7-8,10,13-15,17,27H,1-6,9,11-12H2,(H,31,32,35)
• InChIKey: BQFIUJATJKVPKB-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 145.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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?

The IUPAC name of 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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 (CID 156861981) is 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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.

What is the SMILES notation for 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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?

The canonical SMILES for 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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 is O=C1COc2ncc(N3CC(CCNCC4Cc5cc(OCCn6cncn6)cc(F)c5C4)OC3=O)nc2N1.

What is the InChIKey of 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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?

The InChIKey is BQFIUJATJKVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O5/c26-20-8-18(37-4-3-33-14-28-13-30-33)7-16-5-15(6-19(16)20)9-27-2-1-17-11-34(25(36)39-17)21-10-29-24-23(31-21)32-22(35)12-38-24/h7-8,10,13-15,17,27H,1-6,9,11-12H2,(H,31,32,35).

What are the key properties of 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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?

6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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 has a molecular weight of 538.54 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[[4-fluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-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 is sourced from PubChem (CID 156861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).