3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

C12H14N4O3S — CID 95824618

IUPAC3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C12H14N4O3S/c1-9-14-12(19-15-9)11-5-3-7-16(11)20(17,18)10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1
InChIKeyRIJGPKORDFDKOI-NSHDSACASA-N
MW294.34 g/mol
LogP1.30
Rot. Bonds3

About 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95824618) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95824618
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C12H14N4O3S/c1-9-14-12(19-15-9)11-5-3-7-16(11)20(17,18)10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1
InChIKeyRIJGPKORDFDKOI-NSHDSACASA-N
XLogP1.30
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
5-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90564377
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
CID 124968551
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90564032
3-methyl-5-[1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564352
3-methyl-5-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564387
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
5-[1-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803187

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95824618) is 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is RIJGPKORDFDKOI-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-9-14-12(19-15-9)11-5-3-7-16(11)20(17,18)10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 294.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95824618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).