5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole

C17H17N3O4S — CID 53075255

IUPAC5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3ccco3)n2)cc1)N1CCCCC1
InChIInChI=1S/C17H17N3O4S/c21-25(22,20-10-2-1-3-11-20)14-8-6-13(7-9-14)16-18-17(24-19-16)15-5-4-12-23-15/h4-9,12H,1-3,10-11H2
InChIKeyZZAZCXDNNYUCFI-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.17
Rot. Bonds4

About 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole (PubChem CID 53075255) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
PubChem CID53075255
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3ccco3)n2)cc1)N1CCCCC1
InChIInChI=1S/C17H17N3O4S/c21-25(22,20-10-2-1-3-11-20)14-8-6-13(7-9-14)16-18-17(24-19-16)15-5-4-12-23-15/h4-9,12H,1-3,10-11H2
InChIKeyZZAZCXDNNYUCFI-UHFFFAOYSA-N
XLogP3.17
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole (CID 53075255) is 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(-c2noc(-c3ccco3)n2)cc1)N1CCCCC1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZZAZCXDNNYUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-25(22,20-10-2-1-3-11-20)14-8-6-13(7-9-14)16-18-17(24-19-16)15-5-4-12-23-15/h4-9,12H,1-3,10-11H2.
What are the key properties of 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole has a molecular weight of 359.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53075255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).