[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate

C21H20FN6O7P — CID 18443014

About [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate

[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate (PubChem CID 18443014) has the molecular formula C21H20FN6O7P and a molecular weight of 518.40 g/mol. Its IUPAC name is [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate
• PubChem CID: 18443014
• Molecular Formula: C21H20FN6O7P
• Molecular Weight: 518.40 g/mol
• Exact Mass: 518.11
• IUPAC Name: [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate
• SMILES: O=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(COP(=O)(O)O)C3)nc2)c(F)c1
• InChI: InChI=1S/C21H20FN6O7P/c22-18-7-14(28-11-16(34-21(28)29)10-27-6-5-24-26-27)2-3-17(18)13-1-4-19(23-9-13)20-8-15(35-25-20)12-33-36(30,31)32/h1-7,9,15-16H,8,10-12H2,(H2,30,31,32)
• InChIKey: ZMYFYIJXLXIISO-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 161.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.40
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
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-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate?

The IUPAC name of [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate (CID 18443014) is [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate.

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

The canonical SMILES for [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate is O=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(COP(=O)(O)O)C3)nc2)c(F)c1.

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

The InChIKey is ZMYFYIJXLXIISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN6O7P/c22-18-7-14(28-11-16(34-21(28)29)10-27-6-5-24-26-27)2-3-17(18)13-1-4-19(23-9-13)20-8-15(35-25-20)12-33-36(30,31)32/h1-7,9,15-16H,8,10-12H2,(H2,30,31,32).

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

[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate has a molecular weight of 518.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 18443014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).