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

C15H19N3O4S — CID 129346768

IUPAC5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C15H19N3O4S/c1-10-8-13(21-3)4-5-14(10)23(19,20)18-7-6-12(9-18)15-16-11(2)17-22-15/h4-5,8,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyGSCFANOWGBVUFY-GFCCVEGCSA-N
MW337.40 g/mol
LogP1.87
Rot. Bonds4

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

5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129346768) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129346768
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C15H19N3O4S/c1-10-8-13(21-3)4-5-14(10)23(19,20)18-7-6-12(9-18)15-16-11(2)17-22-15/h4-5,8,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyGSCFANOWGBVUFY-GFCCVEGCSA-N
XLogP1.87
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 129346768) is 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C)no3)C2)c(C)c1.
What is the InChIKey of 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is GSCFANOWGBVUFY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-8-13(21-3)4-5-14(10)23(19,20)18-7-6-12(9-18)15-16-11(2)17-22-15/h4-5,8,12H,6-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 337.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129346768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).