N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

C17H20FN4O8P — CID 118331324

About N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (PubChem CID 118331324) has the molecular formula C17H20FN4O8P and a molecular weight of 458.34 g/mol. Its IUPAC name is N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

Molecular Properties

• Compound Name: N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
• PubChem CID: 118331324
• Molecular Formula: C17H20FN4O8P
• Molecular Weight: 458.34 g/mol
• Exact Mass: 458.10
• IUPAC Name: N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
• SMILES: CC(=O)OP(=O)(O)N(C[C@H]1CN(c2ccc(N3C=NOCC3)c(F)c2)C(=O)O1)C(C)=O
• InChI: InChI=1S/C17H20FN4O8P/c1-11(23)22(31(26,27)30-12(2)24)9-14-8-21(17(25)29-14)13-3-4-16(15(18)7-13)20-5-6-28-19-10-20/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,26,27)/t14-/m1/s1
• InChIKey: QIBLKXRSVUVILS-CQSZACIVSA-N
• XLogP: 1.44
• TPSA: 138.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.34
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
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 N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The IUPAC name of N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (CID 118331324) is N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

What is the SMILES notation for N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The canonical SMILES for N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is CC(=O)OP(=O)(O)N(C[C@H]1CN(c2ccc(N3C=NOCC3)c(F)c2)C(=O)O1)C(C)=O.

What is the InChIKey of N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The InChIKey is QIBLKXRSVUVILS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN4O8P/c1-11(23)22(31(26,27)30-12(2)24)9-14-8-21(17(25)29-14)13-3-4-16(15(18)7-13)20-5-6-28-19-10-20/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,26,27)/t14-/m1/s1.

What are the key properties of N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid has a molecular weight of 458.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is sourced from PubChem (CID 118331324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).