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

C15H19N3O3 — CID 46342204

IUPAC3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCCCC3)n2)c1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-8-6-7-11(13(12)20-2)14-16-15(21-17-14)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3
InChIKeyAJUMDDOHZCVJET-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds4

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

3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole (PubChem CID 46342204) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
PubChem CID46342204
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCCCC3)n2)c1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-8-6-7-11(13(12)20-2)14-16-15(21-17-14)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3
InChIKeyAJUMDDOHZCVJET-UHFFFAOYSA-N
XLogP2.74
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 28922082
3-(2,3-dimethoxyphenyl)-5-(2-thiomorpholin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
CID 50832549
5-(4-cyclohexylpiperazin-1-yl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 20910089
N-benzyl-3-(2,3-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 46342172
[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 25454607
1-[4-[4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 50832596
3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 8520617
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole (CID 46342204) is 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole is COc1cccc(-c2noc(N3CCCCC3)n2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole?
The InChIKey is AJUMDDOHZCVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-12-8-6-7-11(13(12)20-2)14-16-15(21-17-14)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole?
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole has a molecular weight of 289.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46342204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).