3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C14H18N4O2 — CID 119948377

IUPAC3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC3CCNCC3)n2)cn1
InChIInChI=1S/C14H18N4O2/c1-19-12-3-2-11(9-16-12)14-17-13(20-18-14)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3
InChIKeyHAHOWRWLOQRGMX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 119948377) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID119948377
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC3CCNCC3)n2)cn1
InChIInChI=1S/C14H18N4O2/c1-19-12-3-2-11(9-16-12)14-17-13(20-18-14)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3
InChIKeyHAHOWRWLOQRGMX-UHFFFAOYSA-N
XLogP1.68
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 66743433
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 119948377) is 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CC3CCNCC3)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is HAHOWRWLOQRGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-3-2-11(9-16-12)14-17-13(20-18-14)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 119948377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).