5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid

C19H17NO4 — CID 69419771

IUPAC5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCC1(c2ccccc2)C(=O)OC(c2ccccc2)N1C(=O)O
InChIInChI=1S/C19H17NO4/c1-2-13-19(15-11-7-4-8-12-15)17(21)24-16(20(19)18(22)23)14-9-5-3-6-10-14/h2-12,16H,1,13H2,(H,22,23)
InChIKeyGWWPPDDRICWOCE-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.69
Rot. Bonds4

About 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid

5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69419771) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID69419771
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCC1(c2ccccc2)C(=O)OC(c2ccccc2)N1C(=O)O
InChIInChI=1S/C19H17NO4/c1-2-13-19(15-11-7-4-8-12-15)17(21)24-16(20(19)18(22)23)14-9-5-3-6-10-14/h2-12,16H,1,13H2,(H,22,23)
InChIKeyGWWPPDDRICWOCE-UHFFFAOYSA-N
XLogP3.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid 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 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid (CID 69419771) is 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid is C=CCC1(c2ccccc2)C(=O)OC(c2ccccc2)N1C(=O)O.
What is the InChIKey of 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is GWWPPDDRICWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-13-19(15-11-7-4-8-12-15)17(21)24-16(20(19)18(22)23)14-9-5-3-6-10-14/h2-12,16H,1,13H2,(H,22,23).
What are the key properties of 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid?
5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69419771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).