[1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate

C22H25FN5O8P — CID 138615593

About [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate

[1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate (PubChem CID 138615593) has the molecular formula C22H25FN5O8P and a molecular weight of 537.44 g/mol. Its IUPAC name is [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate.

Molecular Properties

• Compound Name: [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate
• PubChem CID: 138615593
• Molecular Formula: C22H25FN5O8P
• Molecular Weight: 537.44 g/mol
• Exact Mass: 537.14
• IUPAC Name: [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate
• SMILES: CN1N=CCC(c2ccc(-c3ccc(N4CC(COCC(CO)OP(=O)(O)O)OC4=O)cc3F)cn2)=N1
• InChI: InChI=1S/C22H25FN5O8P/c1-27-25-7-6-21(26-27)20-5-2-14(9-24-20)18-4-3-15(8-19(18)23)28-10-16(35-22(28)30)12-34-13-17(11-29)36-37(31,32)33/h2-5,7-9,16-17,29H,6,10-13H2,1H3,(H2,31,32,33)
• InChIKey: HTVXYETUADRHGI-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 166.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.44
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate?

The IUPAC name of [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate (CID 138615593) is [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate.

What is the SMILES notation for [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate?

The canonical SMILES for [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate is CN1N=CCC(c2ccc(-c3ccc(N4CC(COCC(CO)OP(=O)(O)O)OC4=O)cc3F)cn2)=N1.

What is the InChIKey of [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate?

The InChIKey is HTVXYETUADRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN5O8P/c1-27-25-7-6-21(26-27)20-5-2-14(9-24-20)18-4-3-15(8-19(18)23)28-10-16(35-22(28)30)12-34-13-17(11-29)36-37(31,32)33/h2-5,7-9,16-17,29H,6,10-13H2,1H3,(H2,31,32,33).

What are the key properties of [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate?

[1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate has a molecular weight of 537.44 g/mol, XLogP of 1.73, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[3-[3-fluoro-4-[6-(2-methyl-5H-triazin-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-hydroxypropan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 138615593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).