5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H16N6O3S — CID 166332098

IUPAC5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C3CCCN3S(C)(=O)=O)no2)cnc2ccnn12
InChIInChI=1S/C14H16N6O3S/c1-9-10(8-15-12-5-6-16-20(9)12)14-17-13(18-23-14)11-4-3-7-19(11)24(2,21)22/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyQXASPOOMLZDYIW-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.18
Rot. Bonds3

About 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole

5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 166332098) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID166332098
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C3CCCN3S(C)(=O)=O)no2)cnc2ccnn12
InChIInChI=1S/C14H16N6O3S/c1-9-10(8-15-12-5-6-16-20(9)12)14-17-13(18-23-14)11-4-3-7-19(11)24(2,21)22/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyQXASPOOMLZDYIW-UHFFFAOYSA-N
XLogP1.18
TPSA106.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 119043575
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594
3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 119043574
5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959451
3-(3-methylphenyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 42765424
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72882387
(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 97344897
N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 75474761
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194

Frequently Asked Questions

What is the IUPAC name of 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 166332098) is 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole is Cc1c(-c2nc(C3CCCN3S(C)(=O)=O)no2)cnc2ccnn12.
What is the InChIKey of 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is QXASPOOMLZDYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-9-10(8-15-12-5-6-16-20(9)12)14-17-13(18-23-14)11-4-3-7-19(11)24(2,21)22/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 348.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166332098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).