3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

C19H19N3O4S — CID 119102477

IUPAC3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1
InChIInChI=1S/C19H19N3O4S/c1-25-16-8-5-9-17(12-16)27(23,24)22-11-10-15(13-22)18-20-19(26-21-18)14-6-3-2-4-7-14/h2-9,12,15H,10-11,13H2,1H3
InChIKeyOANJBZSDDYIIGJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 119102477) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID119102477
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1
InChIInChI=1S/C19H19N3O4S/c1-25-16-8-5-9-17(12-16)27(23,24)22-11-10-15(13-22)18-20-19(26-21-18)14-6-3-2-4-7-14/h2-9,12,15H,10-11,13H2,1H3
InChIKeyOANJBZSDDYIIGJ-UHFFFAOYSA-N
XLogP2.92
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130823
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130827
5-(3-methoxyphenyl)-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130806
5-(3-methoxyphenyl)-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130809
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130800
methyl 2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylbenzoate
CID 53130831
5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92678496
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 46392932
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129416819
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130632
5-phenyl-3-[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835869

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 119102477) is 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is COc1cccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)C2)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is OANJBZSDDYIIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-16-8-5-9-17(12-16)27(23,24)22-11-10-15(13-22)18-20-19(26-21-18)14-6-3-2-4-7-14/h2-9,12,15H,10-11,13H2,1H3.
What are the key properties of 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 385.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 119102477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).