3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole

C16H14FN3O3S2 — CID 53126884

IUPAC3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCCC1
InChIInChI=1S/C16H14FN3O3S2/c17-13-5-3-4-11(8-13)15-18-16(23-19-15)12-9-14(24-10-12)25(21,22)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2
InChIKeyOYLVLXXMKTUDAN-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.39
Rot. Bonds4

About 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole (PubChem CID 53126884) has the molecular formula C16H14FN3O3S2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
PubChem CID53126884
Molecular FormulaC16H14FN3O3S2
Molecular Weight379.44 g/mol
Exact Mass379.05
IUPAC Name3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCCC1
InChIInChI=1S/C16H14FN3O3S2/c17-13-5-3-4-11(8-13)15-18-16(23-19-15)12-9-14(24-10-12)25(21,22)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2
InChIKeyOYLVLXXMKTUDAN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine
CID 53126936
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126864
3-(3-fluorophenyl)-5-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-3-yl]-1,2,4-oxadiazole
CID 95092100
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50829007
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
[3-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53126407
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole (CID 53126884) is 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole is O=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The InChIKey is OYLVLXXMKTUDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S2/c17-13-5-3-4-11(8-13)15-18-16(23-19-15)12-9-14(24-10-12)25(21,22)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2.
What are the key properties of 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole has a molecular weight of 379.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).