5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C14H16FN3O3S — CID 129491455

IUPAC5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3C)C2)n1
InChIInChI=1S/C14H16FN3O3S/c1-9-12(15)4-3-5-13(9)22(19,20)18-7-6-11(8-18)14-16-10(2)17-21-14/h3-5,11H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyXKBAUOLRVSKUMQ-LLVKDONJSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds3

About 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129491455) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129491455
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3C)C2)n1
InChIInChI=1S/C14H16FN3O3S/c1-9-12(15)4-3-5-13(9)22(19,20)18-7-6-11(8-18)14-16-10(2)17-21-14/h3-5,11H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyXKBAUOLRVSKUMQ-LLVKDONJSA-N
XLogP2.00
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 51966188
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346768
5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129418097
3-tert-butyl-5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224431
5-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 3226288
1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868560
N,N-diethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832166
3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224432
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057954
(3aS,6aR)-5-(3-fluoro-2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665542
5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 124951620

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 129491455) is 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3C)C2)n1.
What is the InChIKey of 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XKBAUOLRVSKUMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-9-12(15)4-3-5-13(9)22(19,20)18-7-6-11(8-18)14-16-10(2)17-21-14/h3-5,11H,6-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).