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

C15H19N3O3 — CID 63026122

IUPAC5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCCNC3)no2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-5-6-12(13(8-11)20-2)15-17-14(18-21-15)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyWYLMPZUTCJRYDQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.22
Rot. Bonds4

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

5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63026122) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63026122
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCCNC3)no2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-5-6-12(13(8-11)20-2)15-17-14(18-21-15)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyWYLMPZUTCJRYDQ-UHFFFAOYSA-N
XLogP2.22
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-dimethoxyphenyl)-3-piperidin-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 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63026122) is 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(C3CCCNC3)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is WYLMPZUTCJRYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-5-6-12(13(8-11)20-2)15-17-14(18-21-15)10-4-3-7-16-9-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63026122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).