[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate

C17H16FN6O6P — CID 90934530

About [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate

[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate (PubChem CID 90934530) has the molecular formula C17H16FN6O6P and a molecular weight of 450.32 g/mol. Its IUPAC name is [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate
• PubChem CID: 90934530
• Molecular Formula: C17H16FN6O6P
• Molecular Weight: 450.32 g/mol
• Exact Mass: 450.09
• IUPAC Name: [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate
• SMILES: COP(=O)(O)OC1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)14-6-3-10(8-19-14)12-5-4-11(7-13(12)18)24-9-15(29-17(24)25)30-31(26,27)28-2/h3-8,15H,9H2,1-2H3,(H,26,27)
• InChIKey: OHLJRJSTSYDERM-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 141.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.32
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
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 [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate?

The IUPAC name of [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate (CID 90934530) is [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate.

What is the SMILES notation for [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate?

The canonical SMILES for [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate is COP(=O)(O)OC1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate?

The InChIKey is OHLJRJSTSYDERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)14-6-3-10(8-19-14)12-5-4-11(7-13(12)18)24-9-15(29-17(24)25)30-31(26,27)28-2/h3-8,15H,9H2,1-2H3,(H,26,27).

What are the key properties of [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate?

[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate has a molecular weight of 450.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] methyl hydrogen phosphate is sourced from PubChem (CID 90934530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).