(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione

C18H16N2O3 — CID 58308923

IUPAC(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(/C=C2/OC(=O)N(CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-13-2-4-15(5-3-13)12-16-17(21)20(18(22)23-16)11-8-14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3/b16-12+
InChIKeyDATMBEKGZMHHQE-FOWTUZBSSA-N
MW308.34 g/mol
LogP2.95
Rot. Bonds4

About (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione

(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 58308923) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
PubChem CID58308923
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(/C=C2/OC(=O)N(CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-13-2-4-15(5-3-13)12-16-17(21)20(18(22)23-16)11-8-14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3/b16-12+
InChIKeyDATMBEKGZMHHQE-FOWTUZBSSA-N
XLogP2.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-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)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione (CID 58308923) is (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione is Cc1ccc(/C=C2/OC(=O)N(CCc3ccncc3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is DATMBEKGZMHHQE-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13-2-4-15(5-3-13)12-16-17(21)20(18(22)23-16)11-8-14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3/b16-12+.
What are the key properties of (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione?
(5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methylphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58308923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).