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

C27H24N2O4 — CID 58785600

IUPAC(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(CN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4CC)C2=O)cc1
InChIInChI=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+
InChIKeyBDBLFBBLNLUDCJ-PCLIKHOPSA-N
MW440.50 g/mol
LogP5.73
Rot. Bonds6

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 CID58785600
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(CN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4CC)C2=O)cc1
InChIInChI=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+
InChIKeyBDBLFBBLNLUDCJ-PCLIKHOPSA-N
XLogP5.73
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).