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

C15H19N3O — CID 43627411

IUPAC3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-11-5-7-12(8-6-11)14-17-15(19-18-14)13-4-3-9-16-10-13/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyZZKWLRGAGPGVRF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds3

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

3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 43627411) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID43627411
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-11-5-7-12(8-6-11)14-17-15(19-18-14)13-4-3-9-16-10-13/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyZZKWLRGAGPGVRF-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
5-[(3R)-pyrrolidin-3-yl]-3-(4-undecylphenyl)-1,2,4-oxadiazole
CID 154661001
3-(4-decylphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 155012950
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 43627411) is 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is CCc1ccc(-c2noc(C3CCCNC3)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZZKWLRGAGPGVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-11-5-7-12(8-6-11)14-17-15(19-18-14)13-4-3-9-16-10-13/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43627411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).