5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C18H16F3N3O3S2 — CID 42585273

IUPAC5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C18H16F3N3O3S2/c19-18(20,21)14-5-3-12(4-6-14)16-22-17(27-23-16)13-7-9-24(10-8-13)29(25,26)15-2-1-11-28-15/h1-6,11,13H,7-10H2
InChIKeyRODWBWPFKWGPQQ-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.39
Rot. Bonds4

About 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 42585273) has the molecular formula C18H16F3N3O3S2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID42585273
Molecular FormulaC18H16F3N3O3S2
Molecular Weight443.47 g/mol
Exact Mass443.06
IUPAC Name5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C18H16F3N3O3S2/c19-18(20,21)14-5-3-12(4-6-14)16-22-17(27-23-16)13-7-9-24(10-8-13)29(25,26)15-2-1-11-28-15/h1-6,11,13H,7-10H2
InChIKeyRODWBWPFKWGPQQ-UHFFFAOYSA-N
XLogP4.39
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 42585273) is 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1.
What is the InChIKey of 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is RODWBWPFKWGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S2/c19-18(20,21)14-5-3-12(4-6-14)16-22-17(27-23-16)13-7-9-24(10-8-13)29(25,26)15-2-1-11-28-15/h1-6,11,13H,7-10H2.
What are the key properties of 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 443.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42585273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).