2-methyl-4-thiophen-3-yloxazetidin-3-one

C7H7NO2S — CID 13301280

IUPAC2-methyl-4-thiophen-3-yloxazetidin-3-one
SMILESCN1OC(c2ccsc2)C1=O
InChIInChI=1S/C7H7NO2S/c1-8-7(9)6(10-8)5-2-3-11-4-5/h2-4,6H,1H3
InChIKeyNAIAGQHFWMHQQJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.19
Rot. Bonds1

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

2-methyl-4-thiophen-3-yloxazetidin-3-one (PubChem CID 13301280) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-methyl-4-thiophen-3-yloxazetidin-3-one.

Molecular Properties

Compound Name2-methyl-4-thiophen-3-yloxazetidin-3-one
PubChem CID13301280
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name2-methyl-4-thiophen-3-yloxazetidin-3-one
SMILESCN1OC(c2ccsc2)C1=O
InChIInChI=1S/C7H7NO2S/c1-8-7(9)6(10-8)5-2-3-11-4-5/h2-4,6H,1H3
InChIKeyNAIAGQHFWMHQQJ-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-3-yloxazetidin-3-one?
The IUPAC name of 2-methyl-4-thiophen-3-yloxazetidin-3-one (CID 13301280) is 2-methyl-4-thiophen-3-yloxazetidin-3-one.
What is the SMILES notation for 2-methyl-4-thiophen-3-yloxazetidin-3-one?
The canonical SMILES for 2-methyl-4-thiophen-3-yloxazetidin-3-one is CN1OC(c2ccsc2)C1=O.
What is the InChIKey of 2-methyl-4-thiophen-3-yloxazetidin-3-one?
The InChIKey is NAIAGQHFWMHQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-8-7(9)6(10-8)5-2-3-11-4-5/h2-4,6H,1H3.
What are the key properties of 2-methyl-4-thiophen-3-yloxazetidin-3-one?
2-methyl-4-thiophen-3-yloxazetidin-3-one has a molecular weight of 169.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-3-yloxazetidin-3-one is sourced from PubChem (CID 13301280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).