(1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid

C24H23N4O9P — CID 123340364

About (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid

(1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid (PubChem CID 123340364) has the molecular formula C24H23N4O9P and a molecular weight of 542.44 g/mol. Its IUPAC name is (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid.

Molecular Properties

• Compound Name: (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid
• PubChem CID: 123340364
• Molecular Formula: C24H23N4O9P
• Molecular Weight: 542.44 g/mol
• Exact Mass: 542.12
• IUPAC Name: (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid
• SMILES: C=CN1C=C1P(=O)(O)OCC1CN(c2ccc(-c3ccc4c(c3)OCC3C(CO)OC(=O)N43)cn2)C(=O)O1
• InChI: InChI=1S/C24H23N4O9P/c1-2-26-10-22(26)38(32,33)35-12-16-9-27(23(30)36-16)21-6-4-15(8-25-21)14-3-5-17-19(7-14)34-13-18-20(11-29)37-24(31)28(17)18/h2-8,10,16,18,20,29H,1,9,11-13H2,(H,32,33)
• InChIKey: AVMLKPLZQHBGKQ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 150.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.44
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid?

The IUPAC name of (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid (CID 123340364) is (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid.

What is the SMILES notation for (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid?

The canonical SMILES for (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid is C=CN1C=C1P(=O)(O)OCC1CN(c2ccc(-c3ccc4c(c3)OCC3C(CO)OC(=O)N43)cn2)C(=O)O1.

What is the InChIKey of (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid?

The InChIKey is AVMLKPLZQHBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N4O9P/c1-2-26-10-22(26)38(32,33)35-12-16-9-27(23(30)36-16)21-6-4-15(8-25-21)14-3-5-17-19(7-14)34-13-18-20(11-29)37-24(31)28(17)18/h2-8,10,16,18,20,29H,1,9,11-13H2,(H,32,33).

What are the key properties of (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid?

(1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid has a molecular weight of 542.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethenylazirin-2-yl)-[[3-[5-[3-(hydroxymethyl)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-7-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phosphinic acid is sourced from PubChem (CID 123340364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).