6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile

C26H26N8O6 — CID 156861686

About 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile

6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile (PubChem CID 156861686) has the molecular formula C26H26N8O6 and a molecular weight of 546.54 g/mol. Its IUPAC name is 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile.

Molecular Properties

• Compound Name: 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile
• PubChem CID: 156861686
• Molecular Formula: C26H26N8O6
• Molecular Weight: 546.54 g/mol
• Exact Mass: 546.20
• IUPAC Name: 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile
• SMILES: Cc1nonc1COc1cc(C#N)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
• InChI: InChI=1S/C26H26N8O6/c1-14-21(33-40-32-14)12-37-19-6-16-4-15(5-20(16)17(7-19)8-27)9-28-3-2-18-11-34(26(36)39-18)22-10-29-25-24(30-22)31-23(35)13-38-25/h6-7,10,15,18,28H,2-5,9,11-13H2,1H3,(H,30,31,35)
• InChIKey: BHCYTSBTNYPSOI-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 177.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.54
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile?

The IUPAC name of 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile (CID 156861686) is 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile.

What is the SMILES notation for 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile?

The canonical SMILES for 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile is Cc1nonc1COc1cc(C#N)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.

What is the InChIKey of 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile?

The InChIKey is BHCYTSBTNYPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O6/c1-14-21(33-40-32-14)12-37-19-6-16-4-15(5-20(16)17(7-19)8-27)9-28-3-2-18-11-34(26(36)39-18)22-10-29-25-24(30-22)31-23(35)13-38-25/h6-7,10,15,18,28H,2-5,9,11-13H2,1H3,(H,30,31,35).

What are the key properties of 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile?

6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile has a molecular weight of 546.54 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-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-indene-4-carbonitrile is sourced from PubChem (CID 156861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).