Cetoxime

C₁₅H₁₇N₃O — CID 5360673

About Cetoxime

Cetoxime (PubChem CID 5360673) has the molecular formula C₁₅H₁₇N₃O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N'-hydroxyethanimidamide.

Molecular Properties

• Compound Name: Cetoxime
• PubChem CID: 5360673
• Molecular Formula: C₁₅H₁₇N₃O
• Molecular Weight: 255.32 g/mol
• Exact Mass: 255.14
• IUPAC Name: 2-(N-benzylanilino)-N'-hydroxyethanimidamide
• SMILES: N/C(CN(Cc1ccccc1)c1ccccc1)=N/O
• InChI: InChI=1S/C15H17N3O/c16-15(17-19)12-18(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2,(H2,16,17)
• InChIKey: GOAZMLKQUGCOPO-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 61.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.32
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cetoxime?

The IUPAC name of Cetoxime (CID 5360673) is 2-(N-benzylanilino)-N'-hydroxyethanimidamide.

What is the SMILES notation for Cetoxime?

The canonical SMILES for Cetoxime is N/C(CN(Cc1ccccc1)c1ccccc1)=N/O.

What is the InChIKey of Cetoxime?

The InChIKey is GOAZMLKQUGCOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15(17-19)12-18(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2,(H2,16,17).

What are the key properties of Cetoxime?

Cetoxime has a molecular weight of 255.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Cetoxime is sourced from PubChem (CID 5360673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5360673 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3706 — approved-drug record (CC BY-SA 4.0)

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