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

C17H23N3O4S — CID 3226064

IUPAC3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C17H23N3O4S/c1-3-11-25(21,22)20-10-4-5-14(12-20)17-18-16(19-24-17)13-6-8-15(23-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVGEWPCSQMVITMT-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.66
Rot. Bonds6

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

3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 3226064) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID3226064
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C17H23N3O4S/c1-3-11-25(21,22)20-10-4-5-14(12-20)17-18-16(19-24-17)13-6-8-15(23-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVGEWPCSQMVITMT-UHFFFAOYSA-N
XLogP2.66
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (CID 3226064) is 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is CCCS(=O)(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)no2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is VGEWPCSQMVITMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-11-25(21,22)20-10-4-5-14(12-20)17-18-16(19-24-17)13-6-8-15(23-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3226064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).