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

C17H23N3O2 — CID 173108829

IUPAC3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOc1noc(C2CNCC(c3ccc(CC)cc3)C2)n1
InChIInChI=1S/C17H23N3O2/c1-3-12-5-7-13(8-6-12)14-9-15(11-18-10-14)16-19-17(20-22-16)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyRXHCPAWOAKTZMG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds5

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

3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 173108829) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID173108829
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOc1noc(C2CNCC(c3ccc(CC)cc3)C2)n1
InChIInChI=1S/C17H23N3O2/c1-3-12-5-7-13(8-6-12)14-9-15(11-18-10-14)16-19-17(20-22-16)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyRXHCPAWOAKTZMG-UHFFFAOYSA-N
XLogP2.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116470
3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 87577351
3-cyclopropyl-5-[5-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 173108613
[3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116520
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116471
3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 86665502
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(4-ethylphenyl)-5-prop-2-enylpiperidine
CID 167080850
3-(4-ethylphenyl)azepane
CID 83819662
5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758089
5-(4-ethylphenyl)-3,3-dimethylpiperidine
CID 82285256
3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 173108829) is 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole is CCOc1noc(C2CNCC(c3ccc(CC)cc3)C2)n1.
What is the InChIKey of 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RXHCPAWOAKTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-12-5-7-13(8-6-12)14-9-15(11-18-10-14)16-19-17(20-22-16)21-4-2/h5-8,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole?
3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 173108829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).