[3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

C21H19FN5O10P — CID 68545922

About [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

[3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 68545922) has the molecular formula C21H19FN5O10P and a molecular weight of 551.38 g/mol. Its IUPAC name is [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• PubChem CID: 68545922
• Molecular Formula: C21H19FN5O10P
• Molecular Weight: 551.38 g/mol
• Exact Mass: 551.09
• IUPAC Name: [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• SMILES: O=C1OC(COP(=O)(O)O)CN1c1ccc(-c2ccc(OC3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1
• InChI: InChI=1S/C21H19FN5O10P/c22-17-5-13(26-8-15(37-21(26)28)11-35-38(31,32)33)2-3-16(17)12-1-4-19(23-6-12)36-14-7-25-9-18(27(29)30)24-20(25)34-10-14/h1-6,9,14-15H,7-8,10-11H2,(H2,31,32,33)
• InChIKey: DTLYMLJAUJLKPV-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 188.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.38
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The IUPAC name of [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 68545922) is [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The canonical SMILES for [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is O=C1OC(COP(=O)(O)O)CN1c1ccc(-c2ccc(OC3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1.

What is the InChIKey of [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The InChIKey is DTLYMLJAUJLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN5O10P/c22-17-5-13(26-8-15(37-21(26)28)11-35-38(31,32)33)2-3-16(17)12-1-4-19(23-6-12)36-14-7-25-9-18(27(29)30)24-20(25)34-10-14/h1-6,9,14-15H,7-8,10-11H2,(H2,31,32,33).

What are the key properties of [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

[3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 551.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 68545922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).