3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole

C19H19N3O4S — CID 121181617

IUPAC3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ncon3)C2)c1
InChIInChI=1S/C19H19N3O4S/c1-25-15-8-5-9-16(10-15)27(23,24)22-11-17(14-6-3-2-4-7-14)18(12-22)19-20-13-26-21-19/h2-10,13,17-18H,11-12H2,1H3
InChIKeyKLNSLCDGFPRJDD-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.65
Rot. Bonds5

About 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole

3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 121181617) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID121181617
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ncon3)C2)c1
InChIInChI=1S/C19H19N3O4S/c1-25-15-8-5-9-16(10-15)27(23,24)22-11-17(14-6-3-2-4-7-14)18(12-22)19-20-13-26-21-19/h2-10,13,17-18H,11-12H2,1H3
InChIKeyKLNSLCDGFPRJDD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 121019752
5-(3-methoxyphenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
CID 71448083
3-[1-(azepan-1-ylsulfonyl)-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 126853640
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
3-[(3S,4R)-1-[(2-fluorophenyl)methylsulfonyl]-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129417722
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(3R,4S)-1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93154582
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4R)-1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanone
CID 59666153
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 121181617) is 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole is COc1cccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ncon3)C2)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is KLNSLCDGFPRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-15-8-5-9-16(10-15)27(23,24)22-11-17(14-6-3-2-4-7-14)18(12-22)19-20-13-26-21-19/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole?
3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 385.45 g/mol, XLogP of 2.65, 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)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 121181617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).