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

C16H15FN5O7P — CID 18438586

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

[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate (PubChem CID 18438586) has the molecular formula C16H15FN5O7P and a molecular weight of 439.30 g/mol. Its IUPAC name is [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate
• PubChem CID: 18438586
• Molecular Formula: C16H15FN5O7P
• Molecular Weight: 439.30 g/mol
• Exact Mass: 439.07
• IUPAC Name: [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate
• SMILES: O=C1OC(Cn2ccnn2)CN1c1ccc(-c2cc(COP(=O)(O)O)no2)c(F)c1
• InChI: InChI=1S/C16H15FN5O7P/c17-14-6-11(22-8-12(28-16(22)23)7-21-4-3-18-20-21)1-2-13(14)15-5-10(19-29-15)9-27-30(24,25)26/h1-6,12H,7-9H2,(H2,24,25,26)
• InChIKey: ICKUQMNKAFAOCF-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 153.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.30
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate (CID 18438586) is [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate.

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

The canonical SMILES for [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate is O=C1OC(Cn2ccnn2)CN1c1ccc(-c2cc(COP(=O)(O)O)no2)c(F)c1.

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

The InChIKey is ICKUQMNKAFAOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN5O7P/c17-14-6-11(22-8-12(28-16(22)23)7-21-4-3-18-20-21)1-2-13(14)15-5-10(19-29-15)9-27-30(24,25)26/h1-6,12H,7-9H2,(H2,24,25,26).

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

[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate has a molecular weight of 439.30 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 18438586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).