5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H25N5O3S — CID 131900470

IUPAC5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C20H25N5O3S/c1-13(2)19-21-20(28-23-19)17-11-8-12-24(17)29(26,27)18-14(3)22-25(15(18)4)16-9-6-5-7-10-16/h5-7,9-10,13,17H,8,11-12H2,1-4H3/t17-/m0/s1
InChIKeyQQFYLRLNXIUOAA-KRWDZBQOSA-N
MW415.52 g/mol
LogP3.52
Rot. Bonds5

About 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131900470) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131900470
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C20H25N5O3S/c1-13(2)19-21-20(28-23-19)17-11-8-12-24(17)29(26,27)18-14(3)22-25(15(18)4)16-9-6-5-7-10-16/h5-7,9-10,13,17H,8,11-12H2,1-4H3/t17-/m0/s1
InChIKeyQQFYLRLNXIUOAA-KRWDZBQOSA-N
XLogP3.52
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
5-[(2S)-1-[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131904930
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
5-[1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126801712
(3R)-N-(2-phenylpyrazol-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97436373
5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 134707242
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131900470) is 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(C(C)C)no1.
What is the InChIKey of 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QQFYLRLNXIUOAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-13(2)19-21-20(28-23-19)17-11-8-12-24(17)29(26,27)18-14(3)22-25(15(18)4)16-9-6-5-7-10-16/h5-7,9-10,13,17H,8,11-12H2,1-4H3/t17-/m0/s1.
What are the key properties of 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 415.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131900470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).