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

C16H14FN3O3S2 — CID 92569582

IUPAC2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14FN3O3S2/c17-11-4-1-5-12(10-11)25(21,22)20-8-2-6-13(20)15-18-19-16(23-15)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2/t13-/m0/s1
InChIKeySEVVVNZOSZVFTK-ZDUSSCGKSA-N
MW379.44 g/mol
LogP3.46
Rot. Bonds4

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

2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 92569582) has the molecular formula C16H14FN3O3S2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID92569582
Molecular FormulaC16H14FN3O3S2
Molecular Weight379.44 g/mol
Exact Mass379.05
IUPAC Name2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14FN3O3S2/c17-11-4-1-5-12(10-11)25(21,22)20-8-2-6-13(20)15-18-19-16(23-15)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2/t13-/m0/s1
InChIKeySEVVVNZOSZVFTK-ZDUSSCGKSA-N
XLogP3.46
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-5-[(2R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92569579
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571600
2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110217531
2-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110224612
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576765
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 110217580
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559559

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 92569582) is 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is O=S(=O)(c1cccc(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is SEVVVNZOSZVFTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14FN3O3S2/c17-11-4-1-5-12(10-11)25(21,22)20-8-2-6-13(20)15-18-19-16(23-15)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 379.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92569582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).