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

C17H15FN4O3S — CID 92570977

IUPAC2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C17H15FN4O3S/c18-14-3-5-15(6-4-14)26(23,24)22-9-7-13(11-22)17-21-20-16(25-17)12-2-1-8-19-10-12/h1-6,8,10,13H,7,9,11H2/t13-/m0/s1
InChIKeyXYXIZKRVZQKZJB-ZDUSSCGKSA-N
MW374.40 g/mol
LogP2.45
Rot. Bonds4

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

2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 92570977) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID92570977
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C17H15FN4O3S/c18-14-3-5-15(6-4-14)26(23,24)22-9-7-13(11-22)17-21-20-16(25-17)12-2-1-8-19-10-12/h1-6,8,10,13H,7,9,11H2/t13-/m0/s1
InChIKeyXYXIZKRVZQKZJB-ZDUSSCGKSA-N
XLogP2.45
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069649
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99963520
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
4-[5-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 51137783
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137840
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069644
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 92570977) is 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is XYXIZKRVZQKZJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-14-3-5-15(6-4-14)26(23,24)22-9-7-13(11-22)17-21-20-16(25-17)12-2-1-8-19-10-12/h1-6,8,10,13H,7,9,11H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 374.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92570977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).