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

C11H13N5O3S — CID 72882387

IUPAC5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1nc(-c2cccnn2)no1
InChIInChI=1S/C11H13N5O3S/c1-20(17,18)16-7-3-5-9(16)11-13-10(15-19-11)8-4-2-6-12-14-8/h2,4,6,9H,3,5,7H2,1H3
InChIKeyCOKDWVSMEJJMAS-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.62
Rot. Bonds3

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

5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 72882387) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID72882387
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1nc(-c2cccnn2)no1
InChIInChI=1S/C11H13N5O3S/c1-20(17,18)16-7-3-5-9(16)11-13-10(15-19-11)8-4-2-6-12-14-8/h2,4,6,9H,3,5,7H2,1H3
InChIKeyCOKDWVSMEJJMAS-UHFFFAOYSA-N
XLogP0.62
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methylphenyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 42765424
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-(3-methylphenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206258
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
CID 124605898
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 3758767
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 72882387) is 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is CS(=O)(=O)N1CCCC1c1nc(-c2cccnn2)no1.
What is the InChIKey of 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is COKDWVSMEJJMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-20(17,18)16-7-3-5-9(16)11-13-10(15-19-11)8-4-2-6-12-14-8/h2,4,6,9H,3,5,7H2,1H3.
What are the key properties of 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 295.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72882387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).