(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

C27H24N2O4 — CID 58785600

About (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 58785600) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
• PubChem CID: 58785600
• Molecular Formula: C27H24N2O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.17
• IUPAC Name: (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
• SMILES: CCOc1ccc(CN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4CC)C2=O)cc1
• InChI: InChI=1S/C27H24N2O4/c1-3-28-23-8-6-5-7-21(23)22-15-19(11-14-24(22)28)16-25-26(30)29(27(31)33-25)17-18-9-12-20(13-10-18)32-4-2/h5-16H,3-4,17H2,1-2H3/b25-16+
• InChIKey: BDBLFBBLNLUDCJ-PCLIKHOPSA-N
• XLogP: 5.73
• TPSA: 60.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (CID 58785600) is (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is CCOc1ccc(CN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4CC)C2=O)cc1.

What is the InChIKey of (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The InChIKey is BDBLFBBLNLUDCJ-PCLIKHOPSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-3-28-23-8-6-5-7-21(23)22-15-19(11-14-24(22)28)16-25-26(30)29(27(31)33-25)17-18-9-12-20(13-10-18)32-4-2/h5-16H,3-4,17H2,1-2H3/b25-16+.

What are the key properties of (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58785600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).