3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

C19H21N3O4S — CID 3226297

IUPAC3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-5-8-16(9-6-13)27(23,24)22-11-3-4-15(12-22)19-20-18(21-26-19)17-10-7-14(2)25-17/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyAXSUFXOJVZOSLB-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.51
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 3226297) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID3226297
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-5-8-16(9-6-13)27(23,24)22-11-3-4-15(12-22)19-20-18(21-26-19)17-10-7-14(2)25-17/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyAXSUFXOJVZOSLB-UHFFFAOYSA-N
XLogP3.51
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
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-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 3226297) is 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is AXSUFXOJVZOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-5-8-16(9-6-13)27(23,24)22-11-3-4-15(12-22)19-20-18(21-26-19)17-10-7-14(2)25-17/h5-10,15H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
3-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 387.46 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-(5-methylfuran-2-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 3226297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).