3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole

C19H27N3O3 — CID 167910926

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(CC3CCC(C)(C)CN3)n2)cc1OC
InChIInChI=1S/C19H27N3O3/c1-19(2)8-7-14(20-12-19)11-18-21-17(22-25-18)10-13-5-6-15(23-3)16(9-13)24-4/h5-6,9,14,20H,7-8,10-12H2,1-4H3
InChIKeyZVLYKOMRFJZOGH-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.00
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole

3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 167910926) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID167910926
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(CC3CCC(C)(C)CN3)n2)cc1OC
InChIInChI=1S/C19H27N3O3/c1-19(2)8-7-14(20-12-19)11-18-21-17(22-25-18)10-13-5-6-15(23-3)16(9-13)24-4/h5-6,9,14,20H,7-8,10-12H2,1-4H3
InChIKeyZVLYKOMRFJZOGH-UHFFFAOYSA-N
XLogP3.00
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948333
3-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840020
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 119948303
1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
CID 75477955
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
4-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 167803128
[1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120840012
2-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 62329655
3-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524077
3-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 60863892
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole (CID 167910926) is 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2noc(CC3CCC(C)(C)CN3)n2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is ZVLYKOMRFJZOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)8-7-14(20-12-19)11-18-21-17(22-25-18)10-13-5-6-15(23-3)16(9-13)24-4/h5-6,9,14,20H,7-8,10-12H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole?
3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 345.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-5-[(5,5-dimethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167910926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).