2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane

C24H26FN5O6S — CID 159362853

About 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane

2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane (PubChem CID 159362853) has the molecular formula C24H26FN5O6S and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane.

Molecular Properties

• Compound Name: 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane
• PubChem CID: 159362853
• Molecular Formula: C24H26FN5O6S
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.16
• IUPAC Name: 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane
• SMILES: Cc1cc(F)c(OCCCC[C@H]2CN(c3cnc4c(n3)CC(=O)CO4)C(=O)O2)c2c1ncc(=O)n2C.S
• InChI: InChI=1S/C24H24FN5O6.H2S/c1-13-7-16(25)22(21-20(13)26-10-19(32)29(21)2)34-6-4-3-5-15-11-30(24(33)36-15)18-9-27-23-17(28-18)8-14(31)12-35-23;/h7,9-10,15H,3-6,8,11-12H2,1-2H3;1H2/t15-;/m0./s1
• InChIKey: LITJFWIMYBZKBC-RSAXXLAASA-N
• XLogP: 2.36
• TPSA: 125.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane?

The IUPAC name of 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane (CID 159362853) is 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane.

What is the SMILES notation for 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane?

The canonical SMILES for 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane is Cc1cc(F)c(OCCCC[C@H]2CN(c3cnc4c(n3)CC(=O)CO4)C(=O)O2)c2c1ncc(=O)n2C.S.

What is the InChIKey of 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane?

The InChIKey is LITJFWIMYBZKBC-RSAXXLAASA-N. The full InChI is InChI=1S/C24H24FN5O6.H2S/c1-13-7-16(25)22(21-20(13)26-10-19(32)29(21)2)34-6-4-3-5-15-11-30(24(33)36-15)18-9-27-23-17(28-18)8-14(31)12-35-23;/h7,9-10,15H,3-6,8,11-12H2,1-2H3;1H2/t15-;/m0./s1.

What are the key properties of 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane?

2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane has a molecular weight of 531.57 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane is sourced from PubChem (CID 159362853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).