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

C15H19N3O2 — CID 43519291

IUPAC3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-2-19-13-7-3-5-11(9-13)14-17-15(20-18-14)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3
InChIKeyVCDLPGTYKMHPBE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds4

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

3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 43519291) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID43519291
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-2-19-13-7-3-5-11(9-13)14-17-15(20-18-14)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3
InChIKeyVCDLPGTYKMHPBE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840442
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 43519282
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 43519291) is 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is CCOc1cccc(-c2noc(C3CCCNC3)n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is VCDLPGTYKMHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-19-13-7-3-5-11(9-13)14-17-15(20-18-14)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43519291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).