5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C20H23N5O — CID 53037210

IUPAC5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCN1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-3-24-9-11-25(12-10-24)18-8-7-17(14-21-18)20-22-19(23-26-20)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWYVNUHDFWLRHBE-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.25
Rot. Bonds4

About 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 53037210) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID53037210
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCN1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-3-24-9-11-25(12-10-24)18-8-7-17(14-21-18)20-22-19(23-26-20)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWYVNUHDFWLRHBE-UHFFFAOYSA-N
XLogP3.25
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53126729
3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037147
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53126761
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
3-(4-methoxyphenyl)-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53126709
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45226780

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 53037210) is 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is CCN1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)CC1.
What is the InChIKey of 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is WYVNUHDFWLRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-24-9-11-25(12-10-24)18-8-7-17(14-21-18)20-22-19(23-26-20)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53037210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).