5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C13H16N4O3S — CID 156601885

IUPAC5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CN(S(C)(=O)=O)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C13H16N4O3S/c1-9-7-17(21(2,18)19)8-11(9)13-15-12(16-20-13)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3
InChIKeySJQFAHNTEWDTKC-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.13
Rot. Bonds3

About 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 156601885) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID156601885
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CN(S(C)(=O)=O)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C13H16N4O3S/c1-9-7-17(21(2,18)19)8-11(9)13-15-12(16-20-13)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3
InChIKeySJQFAHNTEWDTKC-UHFFFAOYSA-N
XLogP1.13
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987
5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601859
5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 156601925
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051960
(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051969
2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 156601877
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150079
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
5-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 24731368

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 156601885) is 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC1CN(S(C)(=O)=O)CC1c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SJQFAHNTEWDTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9-7-17(21(2,18)19)8-11(9)13-15-12(16-20-13)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 308.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 156601885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).