2-benzyl-4-thiophen-3-yloxazetidin-3-one

C13H11NO2S — CID 13301281

IUPAC2-benzyl-4-thiophen-3-yloxazetidin-3-one
SMILESO=C1C(c2ccsc2)ON1Cc1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13-12(11-6-7-17-9-11)16-14(13)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2
InChIKeyZESLFRQXKADDTG-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.76
Rot. Bonds3

About 2-benzyl-4-thiophen-3-yloxazetidin-3-one

2-benzyl-4-thiophen-3-yloxazetidin-3-one (PubChem CID 13301281) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-benzyl-4-thiophen-3-yloxazetidin-3-one.

Molecular Properties

Compound Name2-benzyl-4-thiophen-3-yloxazetidin-3-one
PubChem CID13301281
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-benzyl-4-thiophen-3-yloxazetidin-3-one
SMILESO=C1C(c2ccsc2)ON1Cc1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13-12(11-6-7-17-9-11)16-14(13)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2
InChIKeyZESLFRQXKADDTG-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-thiophen-3-yloxazetidin-3-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 2-benzyl-4-thiophen-3-yloxazetidin-3-one?
The IUPAC name of 2-benzyl-4-thiophen-3-yloxazetidin-3-one (CID 13301281) is 2-benzyl-4-thiophen-3-yloxazetidin-3-one.
What is the SMILES notation for 2-benzyl-4-thiophen-3-yloxazetidin-3-one?
The canonical SMILES for 2-benzyl-4-thiophen-3-yloxazetidin-3-one is O=C1C(c2ccsc2)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-thiophen-3-yloxazetidin-3-one?
The InChIKey is ZESLFRQXKADDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13-12(11-6-7-17-9-11)16-14(13)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2.
What are the key properties of 2-benzyl-4-thiophen-3-yloxazetidin-3-one?
2-benzyl-4-thiophen-3-yloxazetidin-3-one has a molecular weight of 245.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-thiophen-3-yloxazetidin-3-one is sourced from PubChem (CID 13301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).