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

C16H18N2O4S — CID 91814805

IUPAC3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CN(C(=O)C2(c3cccs3)CCCC2)C1
InChIInChI=1S/C16H18N2O4S/c19-13-10-22-15(21)18(13)11-8-17(9-11)14(20)16(5-1-2-6-16)12-4-3-7-23-12/h3-4,7,11H,1-2,5-6,8-10H2
InChIKeyHQTIGOGEEWKRQK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.75
Rot. Bonds3

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

3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814805) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814805
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CN(C(=O)C2(c3cccs3)CCCC2)C1
InChIInChI=1S/C16H18N2O4S/c19-13-10-22-15(21)18(13)11-8-17(9-11)14(20)16(5-1-2-6-16)12-4-3-7-23-12/h3-4,7,11H,1-2,5-6,8-10H2
InChIKeyHQTIGOGEEWKRQK-UHFFFAOYSA-N
XLogP1.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814805) is 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1C1CN(C(=O)C2(c3cccs3)CCCC2)C1.
What is the InChIKey of 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HQTIGOGEEWKRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-13-10-22-15(21)18(13)11-8-17(9-11)14(20)16(5-1-2-6-16)12-4-3-7-23-12/h3-4,7,11H,1-2,5-6,8-10H2.
What are the key properties of 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-thiophen-2-ylcyclopentanecarbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).