acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

C20H18F3N4O8P — CID 118335842

About acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid

acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (PubChem CID 118335842) has the molecular formula C20H18F3N4O8P and a molecular weight of 530.35 g/mol. Its IUPAC name is acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

Molecular Properties

• Compound Name: acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
• PubChem CID: 118335842
• Molecular Formula: C20H18F3N4O8P
• Molecular Weight: 530.35 g/mol
• Exact Mass: 530.08
• IUPAC Name: acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
• SMILES: CC(=O)OP(=O)(O)N(CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)c1ccon1
• InChI: InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)
• InChIKey: YCRAGJLWFBGKFE-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 142.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.35
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The IUPAC name of acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid (CID 118335842) is acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid.

What is the SMILES notation for acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The canonical SMILES for acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is CC(=O)OP(=O)(O)N(CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)c1ccon1.

What is the InChIKey of acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

The InChIKey is YCRAGJLWFBGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32).

What are the key properties of acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid?

acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid has a molecular weight of 530.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid is sourced from PubChem (CID 118335842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).