5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

C21H21F2N3O3S — CID 167278040

IUPAC5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@H](F)C[C@H]1c1nc(CCCc2ccccc2)no1
InChIInChI=1S/C21H21F2N3O3S/c22-16-9-11-18(12-10-16)30(27,28)26-14-17(23)13-19(26)21-24-20(25-29-21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,17,19H,4,7-8,13-14H2/t17-,19+/m1/s1
InChIKeyUXCORQJLFKWBMN-MJGOQNOKSA-N
MW433.48 g/mol
LogP3.86
Rot. Bonds7

About 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 167278040) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID167278040
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@H](F)C[C@H]1c1nc(CCCc2ccccc2)no1
InChIInChI=1S/C21H21F2N3O3S/c22-16-9-11-18(12-10-16)30(27,28)26-14-17(23)13-19(26)21-24-20(25-29-21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,17,19H,4,7-8,13-14H2/t17-,19+/m1/s1
InChIKeyUXCORQJLFKWBMN-MJGOQNOKSA-N
XLogP3.86
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-benzylsulfonyl-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 166545158
5-[4-(cyclobutylmethyl)-1-methylsulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 166545147
1-[(2R,4S)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 128994638
3-(4-fluorophenyl)-5-[(2R)-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071732
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
[2-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]spiro[3.3]heptan-6-yl]-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 177345027
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979
4-[(2S,4R)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-N-methyl-N-(2-phenylethyl)benzamide
CID 177345116
1-[4-(3-chloropropyl)phenyl]sulfonyl-2,4-dimethylpyrrolidine
CID 115644416
[4-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptane-5-carbonyl]cyclohexyl]-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 177345064
N-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 74577528

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (CID 167278040) is 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1C[C@H](F)C[C@H]1c1nc(CCCc2ccccc2)no1.
What is the InChIKey of 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is UXCORQJLFKWBMN-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c22-16-9-11-18(12-10-16)30(27,28)26-14-17(23)13-19(26)21-24-20(25-29-21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,17,19H,4,7-8,13-14H2/t17-,19+/m1/s1.
What are the key properties of 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 433.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167278040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).