4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one

C17H15NO3S — CID 57216511

IUPAC4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccsc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C17H15NO3S/c19-16(7-6-14-8-9-22-12-14)18-15(11-21-17(18)20)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11H2
InChIKeyVWLSVWQNHVVBDB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.35
Rot. Bonds4

About 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 57216511) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID57216511
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccsc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C17H15NO3S/c19-16(7-6-14-8-9-22-12-14)18-15(11-21-17(18)20)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11H2
InChIKeyVWLSVWQNHVVBDB-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one 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 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one (CID 57216511) is 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one is O=C(C=Cc1ccsc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is VWLSVWQNHVVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-16(7-6-14-8-9-22-12-14)18-15(11-21-17(18)20)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11H2.
What are the key properties of 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 313.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(3-thiophen-3-ylprop-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57216511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).