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

C16H21N3O2 — CID 75539076

IUPAC3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CC2CCNCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-14-6-4-3-5-13(14)16-18-15(21-19-16)11-12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3
InChIKeyUKOJDVRWXVXNHG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds5

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

3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 75539076) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID75539076
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CC2CCNCC2)n1
InChIInChI=1S/C16H21N3O2/c1-2-20-14-6-4-3-5-13(14)16-18-15(21-19-16)11-12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3
InChIKeyUKOJDVRWXVXNHG-UHFFFAOYSA-N
XLogP2.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenylmethoxyphenyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120839834
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 120839849
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 75539076) is 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(CC2CCNCC2)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is UKOJDVRWXVXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-20-14-6-4-3-5-13(14)16-18-15(21-19-16)11-12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75539076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).