OXE-02

C₂₆H₂₄N₂O₃ — CID 51037005

About OXE-02

OXE-02 (PubChem CID 51037005) has the molecular formula C₂₆H₂₄N₂O₃ and a molecular weight of 412.49 g/mol. Its IUPAC name is [(Z)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

• Compound Name: OXE-02
• PubChem CID: 51037005
• Molecular Formula: C₂₆H₂₄N₂O₃
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.18
• IUPAC Name: [(Z)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
• SMILES: CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N\OC(C)=O)ccc21
• InChI: InChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3/b27-17-
• InChIKey: SEEVRZDUPHZSOX-PKAZHMFMSA-N
• XLogP: 5.64
• TPSA: 60.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of OXE-02?

The IUPAC name of OXE-02 (CID 51037005) is [(Z)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.

What is the SMILES notation for OXE-02?

The canonical SMILES for OXE-02 is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N\OC(C)=O)ccc21.

What is the InChIKey of OXE-02?

The InChIKey is SEEVRZDUPHZSOX-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3/b27-17-.

What are the key properties of OXE-02?

OXE-02 has a molecular weight of 412.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for OXE-02 is sourced from PubChem (CID 51037005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51037005 — identifiers, structure, computed properties (public domain)

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