5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one

C22H28FN9O3 — CID 175351124

About 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one

5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one (PubChem CID 175351124) has the molecular formula C22H28FN9O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
• PubChem CID: 175351124
• Molecular Formula: C22H28FN9O3
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.23
• IUPAC Name: 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one
• SMILES: Nc1nnn(CCOc2cc(F)c3c(c2)CC(CNCCC2CN(C4=CNCC=N4)C(=O)O2)C3)n1
• InChI: InChI=1S/C22H28FN9O3/c23-19-10-17(34-6-5-32-29-21(24)28-30-32)9-15-7-14(8-18(15)19)11-25-2-1-16-13-31(22(33)35-16)20-12-26-3-4-27-20/h4,9-10,12,14,16,25-26H,1-3,5-8,11,13H2,(H2,24,29)
• InChIKey: OTSIOTWXGFVHHM-UHFFFAOYSA-N
• XLogP: 0.46
• TPSA: 144.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	3
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 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one (CID 175351124) is 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one is Nc1nnn(CCOc2cc(F)c3c(c2)CC(CNCCC2CN(C4=CNCC=N4)C(=O)O2)C3)n1.

What is the InChIKey of 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?

The InChIKey is OTSIOTWXGFVHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN9O3/c23-19-10-17(34-6-5-32-29-21(24)28-30-32)9-15-7-14(8-18(15)19)11-25-2-1-16-13-31(22(33)35-16)20-12-26-3-4-27-20/h4,9-10,12,14,16,25-26H,1-3,5-8,11,13H2,(H2,24,29).

What are the key properties of 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one?

5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 485.52 g/mol, XLogP of 0.46, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[6-[2-(5-aminotetrazol-2-yl)ethoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-3-(1,2-dihydropyrazin-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 175351124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).