Oxiconazole

C₁₈H₁₃Cl₄N₃O — CID 5353853

About Oxiconazole

Oxiconazole (PubChem CID 5353853) has the molecular formula C₁₈H₁₃Cl₄N₃O and a molecular weight of 429.13 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine.

Molecular Properties

• Compound Name: Oxiconazole
• PubChem CID: 5353853
• Molecular Formula: C₁₈H₁₃Cl₄N₃O
• Molecular Weight: 429.13 g/mol
• Exact Mass: 426.98
• IUPAC Name: (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
• SMILES: Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
• InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
• InChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-N
• XLogP: 6.12
• TPSA: 39.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.13
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Oxiconazole?

The IUPAC name of Oxiconazole (CID 5353853) is (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine.

What is the SMILES notation for Oxiconazole?

The canonical SMILES for Oxiconazole is Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.

What is the InChIKey of Oxiconazole?

The InChIKey is QRJJEGAJXVEBNE-HKOYGPOVSA-N. The full InChI is InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+.

What are the key properties of Oxiconazole?

Oxiconazole has a molecular weight of 429.13 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Oxiconazole is sourced from PubChem (CID 5353853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5353853 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3408 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.