(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine

C₂₃H₁₇N₃O₂ — CID 142505434

About (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine (PubChem CID 142505434) has the molecular formula C₂₃H₁₇N₃O₂ and a molecular weight of 367.41 g/mol. Its IUPAC name is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine.

Molecular Properties

• Compound Name: (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
• PubChem CID: 142505434
• Molecular Formula: C₂₃H₁₇N₃O₂
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.13
• IUPAC Name: (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
• SMILES: C(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12
• InChI: InChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+
• InChIKey: SVQBGUVLKWLPPT-BUVRLJJBSA-N
• XLogP: 5.30
• TPSA: 52.03 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?

The IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine (CID 142505434) is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine.

What is the SMILES notation for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?

The canonical SMILES for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine is C(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12.

What is the InChIKey of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?

The InChIKey is SVQBGUVLKWLPPT-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+.

What are the key properties of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine has a molecular weight of 367.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 142505434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142505434 — identifiers, structure, computed properties (public domain)

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