3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole

C18H19N3O5S — CID 45495766

IUPAC3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c1
InChIInChI=1S/C18H19N3O5S/c1-24-14-7-5-6-13(12-14)17-19-18(26-20-17)15-8-9-16(25-15)27(22,23)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3
InChIKeyRSIMXFGWBJSWNU-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.18
Rot. Bonds5

About 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole

3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole (PubChem CID 45495766) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
PubChem CID45495766
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c1
InChIInChI=1S/C18H19N3O5S/c1-24-14-7-5-6-13(12-14)17-19-18(26-20-17)15-8-9-16(25-15)27(22,23)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3
InChIKeyRSIMXFGWBJSWNU-UHFFFAOYSA-N
XLogP3.18
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole (CID 45495766) is 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is RSIMXFGWBJSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-24-14-7-5-6-13(12-14)17-19-18(26-20-17)15-8-9-16(25-15)27(22,23)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 389.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 45495766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).