Nifuratel

C₁₀H₁₁N₃O₅S — CID 6433427

About Nifuratel

Nifuratel (PubChem CID 6433427) has the molecular formula C₁₀H₁₁N₃O₅S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: Nifuratel
• PubChem CID: 6433427
• Molecular Formula: C₁₀H₁₁N₃O₅S
• Molecular Weight: 285.28 g/mol
• Exact Mass: 285.04
• IUPAC Name: 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
• SMILES: CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1
• InChI: InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
• InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-N
• XLogP: 1.71
• TPSA: 98.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.28
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nifuratel?

The IUPAC name of Nifuratel (CID 6433427) is 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.

What is the SMILES notation for Nifuratel?

The canonical SMILES for Nifuratel is CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1.

What is the InChIKey of Nifuratel?

The InChIKey is SRQKTCXJCCHINN-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+.

What are the key properties of Nifuratel?

Nifuratel has a molecular weight of 285.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Nifuratel is sourced from PubChem (CID 6433427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6433427 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1926 — approved-drug record (CC BY-SA 4.0)

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