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

C12H15N3O4S — CID 53175451

IUPAC2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)o1
InChIInChI=1S/C12H15N3O4S/c1-9-13-14-12(18-9)10-5-6-11(19-10)20(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyUZHLZPWYHWDPAB-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.81
Rot. Bonds3

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

2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole (PubChem CID 53175451) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
PubChem CID53175451
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)o1
InChIInChI=1S/C12H15N3O4S/c1-9-13-14-12(18-9)10-5-6-11(19-10)20(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyUZHLZPWYHWDPAB-UHFFFAOYSA-N
XLogP1.81
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole (CID 53175451) is 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole is Cc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)o1.
What is the InChIKey of 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is UZHLZPWYHWDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-9-13-14-12(18-9)10-5-6-11(19-10)20(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 297.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-piperidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 53175451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).