2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

C12H12N2O2S — CID 55200857

IUPAC2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2cccs2)no1
InChIInChI=1S/C12H12N2O2S/c15-10-5-1-4-9(10)12-13-11(14-16-12)7-8-3-2-6-17-8/h2-3,6,9H,1,4-5,7H2
InChIKeyAIOUCOBAGWKACU-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.56
Rot. Bonds3

About 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (PubChem CID 55200857) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
PubChem CID55200857
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2cccs2)no1
InChIInChI=1S/C12H12N2O2S/c15-10-5-1-4-9(10)12-13-11(14-16-12)7-8-3-2-6-17-8/h2-3,6,9H,1,4-5,7H2
InChIKeyAIOUCOBAGWKACU-UHFFFAOYSA-N
XLogP2.56
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (CID 55200857) is 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is O=C1CCCC1c1nc(Cc2cccs2)no1.
What is the InChIKey of 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The InChIKey is AIOUCOBAGWKACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-10-5-1-4-9(10)12-13-11(14-16-12)7-8-3-2-6-17-8/h2-3,6,9H,1,4-5,7H2.
What are the key properties of 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one has a molecular weight of 248.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 55200857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).