Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate

C₂₆H₃₁ClN₆O₆ — CID 156862158

About Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate

Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate (PubChem CID 156862158) has the molecular formula C₂₆H₃₁ClN₆O₆ and a molecular weight of 559.02 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate
• PubChem CID: 156862158
• Molecular Formula: C₂₆H₃₁ClN₆O₆
• Molecular Weight: 559.02 g/mol
• Exact Mass: 558.20
• IUPAC Name: tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1c2cccc(Cl)c2C[C@H]1CNCC[C@@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
• InChI: InChI=1S/C26H31ClN6O6/c1-26(2,3)39-24(35)32-21-14(9-17-16(21)5-4-6-18(17)27)10-28-8-7-15-12-33(25(36)38-15)19-11-29-23-22(30-19)31-20(34)13-37-23/h4-6,11,14-15,21,28H,7-10,12-13H2,1-3H3,(H,32,35)(H,30,31,34)/t14-,15+,21-/m0/s1
• InChIKey: IZOQBMJOZPVAQO-ZSDSOXJFSA-N
• XLogP: 3.20
• TPSA: 144.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.02
LogP ≤ 5	3.20
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 Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate?

The IUPAC name of Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate (CID 156862158) is tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate.

What is the SMILES notation for Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate?

The canonical SMILES for Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2cccc(Cl)c2C[C@H]1CNCC[C@@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.

What is the InChIKey of Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate?

The InChIKey is IZOQBMJOZPVAQO-ZSDSOXJFSA-N. The full InChI is InChI=1S/C26H31ClN6O6/c1-26(2,3)39-24(35)32-21-14(9-17-16(21)5-4-6-18(17)27)10-28-8-7-15-12-33(25(36)38-15)19-11-29-23-22(30-19)31-20(34)13-37-23/h4-6,11,14-15,21,28H,7-10,12-13H2,1-3H3,(H,32,35)(H,30,31,34)/t14-,15+,21-/m0/s1.

What are the key properties of Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate?

Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate has a molecular weight of 559.02 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-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-1-yl]carbamate is sourced from PubChem (CID 156862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156862158 — identifiers, structure, computed properties (public domain)

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