5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C15H19N3O2 — CID 63221826

IUPAC5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CC3CCCNC3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-6-2-5-12(9-13)15-17-14(18-20-15)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3
InChIKeyBBXIOAXAGFNVKV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63221826) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID63221826
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CC3CCCNC3)no2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-6-2-5-12(9-13)15-17-14(18-20-15)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3
InChIKeyBBXIOAXAGFNVKV-UHFFFAOYSA-N
XLogP2.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680
3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 172909011
5-(4-bromo-2-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221693
5-(5-bromo-4-methylthiophen-2-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 79996322
5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222141
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
5-(2,5-dibromothiophen-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107965303
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 63221826) is 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is COc1cccc(-c2nc(CC3CCCNC3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BBXIOAXAGFNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-6-2-5-12(9-13)15-17-14(18-20-15)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).