3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole

C14H17N3O3S — CID 24525746

IUPAC3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C14H17N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-6-13(17)12-5-3-7-15-9-12/h3,5,7,9,13H,4,6,8H2,1-2H3
InChIKeyUYXCPYHHDWPXCY-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.21
Rot. Bonds3

About 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole

3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole (PubChem CID 24525746) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
PubChem CID24525746
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C14H17N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-6-13(17)12-5-3-7-15-9-12/h3,5,7,9,13H,4,6,8H2,1-2H3
InChIKeyUYXCPYHHDWPXCY-UHFFFAOYSA-N
XLogP2.21
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
3,5-dimethyl-4-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94638176
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
4-[(2R)-2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 95079293
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
4-[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92870330
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
3,5-dimethyl-4-[(2S)-2-thiophen-2-ylazepan-1-yl]sulfonyl-1,2-oxazole
CID 93076643
4-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92894200
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole (CID 24525746) is 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole?
The InChIKey is UYXCPYHHDWPXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-6-13(17)12-5-3-7-15-9-12/h3,5,7,9,13H,4,6,8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole?
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole has a molecular weight of 307.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole is sourced from PubChem (CID 24525746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).