3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C12H16N4O3S — CID 96511067

IUPAC3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCc1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1
InChIInChI=1S/C12H16N4O3S/c1-8-13-12(14-19-8)9-3-2-4-16(9)10(17)5-15-7-20-6-11(15)18/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeySXPQZBSGLXETJW-VIFPVBQESA-N
MW296.35 g/mol
LogP0.57
Rot. Bonds3

About 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 96511067) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID96511067
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCc1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1
InChIInChI=1S/C12H16N4O3S/c1-8-13-12(14-19-8)9-3-2-4-16(9)10(17)5-15-7-20-6-11(15)18/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeySXPQZBSGLXETJW-VIFPVBQESA-N
XLogP0.57
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 71872990
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 79028449
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
2-[2-(dimethylamino)ethylsulfanyl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 154798972
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 71928995
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-prop-2-ynylazepane-1-carboxamide
CID 75483929
3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 35610352
3-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 62468958
3-[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 86286497
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 127393117
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 136581301

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 96511067) is 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is Cc1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1.
What is the InChIKey of 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is SXPQZBSGLXETJW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-13-12(14-19-8)9-3-2-4-16(9)10(17)5-15-7-20-6-11(15)18/h9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 296.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 96511067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).