3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

C17H16FN3O3S2 — CID 42585252

IUPAC3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C17H16FN3O3S2/c18-14-5-2-1-4-13(14)16-19-17(24-20-16)12-7-9-21(10-8-12)26(22,23)15-6-3-11-25-15/h1-6,11-12H,7-10H2
InChIKeyPWEYYPICCBHBNL-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.51
Rot. Bonds4

About 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 42585252) has the molecular formula C17H16FN3O3S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID42585252
Molecular FormulaC17H16FN3O3S2
Molecular Weight393.47 g/mol
Exact Mass393.06
IUPAC Name3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C17H16FN3O3S2/c18-14-5-2-1-4-13(14)16-19-17(24-20-16)12-7-9-21(10-8-12)26(22,23)15-6-3-11-25-15/h1-6,11-12H,7-10H2
InChIKeyPWEYYPICCBHBNL-UHFFFAOYSA-N
XLogP3.51
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (CID 42585252) is 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccccc3F)no2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is PWEYYPICCBHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S2/c18-14-5-2-1-4-13(14)16-19-17(24-20-16)12-7-9-21(10-8-12)26(22,23)15-6-3-11-25-15/h1-6,11-12H,7-10H2.
What are the key properties of 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 393.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).