3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

C12H12N2O4S — CID 91814790

IUPAC3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1cccs1)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C12H12N2O4S/c15-10(4-9-2-1-3-19-9)13-5-8(6-13)14-11(16)7-18-12(14)17/h1-3,8H,4-7H2
InChIKeyWQZKJUBFGAVSFY-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.48
Rot. Bonds3

About 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814790) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814790
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1cccs1)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C12H12N2O4S/c15-10(4-9-2-1-3-19-9)13-5-8(6-13)14-11(16)7-18-12(14)17/h1-3,8H,4-7H2
InChIKeyWQZKJUBFGAVSFY-UHFFFAOYSA-N
XLogP0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814790) is 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(Cc1cccs1)N1CC(N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WQZKJUBFGAVSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10(4-9-2-1-3-19-9)13-5-8(6-13)14-11(16)7-18-12(14)17/h1-3,8H,4-7H2.
What are the key properties of 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 280.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).