3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H17N3O3S — CID 121019752

IUPAC3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(C1CC1)N1CC(c2ccccc2)C(c2ncon2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-6-7-12)18-8-13(11-4-2-1-3-5-11)14(9-18)15-16-10-21-17-15/h1-5,10,12-14H,6-9H2
InChIKeyJYJBFRXLXKXTJP-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.74
Rot. Bonds4

About 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 121019752) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID121019752
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(C1CC1)N1CC(c2ccccc2)C(c2ncon2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-6-7-12)18-8-13(11-4-2-1-3-5-11)14(9-18)15-16-10-21-17-15/h1-5,10,12-14H,6-9H2
InChIKeyJYJBFRXLXKXTJP-UHFFFAOYSA-N
XLogP1.74
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(azepan-1-ylsulfonyl)-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 126853640
3-[(3S,4R)-1-[(2-fluorophenyl)methylsulfonyl]-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129417722
3-[1-(3-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 121181617
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(5-methyl-1,2-oxazol-3-yl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124761202
(1,1-dioxothiolan-3-yl)-[3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 121181568
(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 129417298
(5-methylthiophen-2-yl)-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124727923
4-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzonitrile
CID 129417421
methyl 2-[3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 121019739
(2,5-dimethylphenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760633
1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 129417124

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 121019752) is 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole is O=S(=O)(C1CC1)N1CC(c2ccccc2)C(c2ncon2)C1.
What is the InChIKey of 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JYJBFRXLXKXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-22(20,12-6-7-12)18-8-13(11-4-2-1-3-5-11)14(9-18)15-16-10-21-17-15/h1-5,10,12-14H,6-9H2.
What are the key properties of 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 319.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 121019752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).