5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C8H12N4O2S — CID 107436173

IUPAC5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCSCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C8H12N4O2S/c1-15-4-6-11-8(14-12-6)5-2-10-7(13)3-9-5/h5,9H,2-4H2,1H3,(H,10,13)
InChIKeyXZSOWSLOGMMUJJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.31
Rot. Bonds3

About 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436173) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436173
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCSCc1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C8H12N4O2S/c1-15-4-6-11-8(14-12-6)5-2-10-7(13)3-9-5/h5,9H,2-4H2,1H3,(H,10,13)
InChIKeyXZSOWSLOGMMUJJ-UHFFFAOYSA-N
XLogP-0.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436312
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
5-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436398
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
5-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436401
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436114
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436719
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436173) is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is CSCc1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is XZSOWSLOGMMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-15-4-6-11-8(14-12-6)5-2-10-7(13)3-9-5/h5,9H,2-4H2,1H3,(H,10,13).
What are the key properties of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 228.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).