[(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

C21H21FN5O6P — CID 71541859

About [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

[(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 71541859) has the molecular formula C21H21FN5O6P and a molecular weight of 489.40 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• PubChem CID: 71541859
• Molecular Formula: C21H21FN5O6P
• Molecular Weight: 489.40 g/mol
• Exact Mass: 489.12
• IUPAC Name: [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• SMILES: Cn1nncc1N1Cc2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cc2C1
• InChI: InChI=1S/C21H21FN5O6P/c1-25-20(8-23-24-25)26-9-14-3-2-13(6-15(14)10-26)18-5-4-16(7-19(18)22)27-11-17(33-21(27)28)12-32-34(29,30)31/h2-8,17H,9-12H2,1H3,(H2,29,30,31)/t17-/m1/s1
• InChIKey: TUNCNGMUXCPLFB-QGZVFWFLSA-N
• XLogP: 2.58
• TPSA: 130.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.40
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 71541859) is [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

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

The canonical SMILES for [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is Cn1nncc1N1Cc2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cc2C1.

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

The InChIKey is TUNCNGMUXCPLFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21FN5O6P/c1-25-20(8-23-24-25)26-9-14-3-2-13(6-15(14)10-26)18-5-4-16(7-19(18)22)27-11-17(33-21(27)28)12-32-34(29,30)31/h2-8,17H,9-12H2,1H3,(H2,29,30,31)/t17-/m1/s1.

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

[(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 489.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 71541859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).