[2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate

C22H22FN8O7P — CID 90244552

About [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate

[2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate (PubChem CID 90244552) has the molecular formula C22H22FN8O7P and a molecular weight of 560.44 g/mol. Its IUPAC name is [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate.

Molecular Properties

• Compound Name: [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate
• PubChem CID: 90244552
• Molecular Formula: C22H22FN8O7P
• Molecular Weight: 560.44 g/mol
• Exact Mass: 560.13
• IUPAC Name: [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate
• SMILES: O=C(COP(=O)(O)O)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1
• InChI: InChI=1S/C22H22FN8O7P/c23-19-9-16(30-12-17(38-22(30)33)11-29-6-5-25-27-29)2-3-18(19)15-1-4-20(24-10-15)28-7-8-31(26-14-28)21(32)13-37-39(34,35)36/h1-6,9-10,14,17H,7-8,11-13H2,(H2,34,35,36)/t17-/m0/s1
• InChIKey: UYVGYSOPNNSNSV-KRWDZBQOSA-N
• XLogP: 1.21
• TPSA: 175.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.44
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate?

The IUPAC name of [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate (CID 90244552) is [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate.

What is the SMILES notation for [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate?

The canonical SMILES for [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate is O=C(COP(=O)(O)O)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C=N1.

What is the InChIKey of [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate?

The InChIKey is UYVGYSOPNNSNSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22FN8O7P/c23-19-9-16(30-12-17(38-22(30)33)11-29-6-5-25-27-29)2-3-18(19)15-1-4-20(24-10-15)28-7-8-31(26-14-28)21(32)13-37-39(34,35)36/h1-6,9-10,14,17H,7-8,11-13H2,(H2,34,35,36)/t17-/m0/s1.

What are the key properties of [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate?

[2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate has a molecular weight of 560.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-5,6-dihydro-1,2,4-triazin-1-yl]-2-oxoethyl] dihydrogen phosphate is sourced from PubChem (CID 90244552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).