5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

C17H23N3O — CID 63138318

IUPAC5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccccc3C)no2)CCCNC1
InChIInChI=1S/C17H23N3O/c1-3-17(9-6-10-18-12-17)16-19-15(20-21-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,18H,3,6,9-12H2,1-2H3
InChIKeyFXQKPUNPRJELTQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds4

About 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 63138318) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID63138318
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccccc3C)no2)CCCNC1
InChIInChI=1S/C17H23N3O/c1-3-17(9-6-10-18-12-17)16-19-15(20-21-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,18H,3,6,9-12H2,1-2H3
InChIKeyFXQKPUNPRJELTQ-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
3-[(2-methylphenyl)methyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63124252
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144516
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
3-[(2-chlorophenyl)sulfanylmethyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 66153307
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108
5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
CID 65331500
5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66111381
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (CID 63138318) is 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is CCC1(c2nc(Cc3ccccc3C)no2)CCCNC1.
What is the InChIKey of 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is FXQKPUNPRJELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-17(9-6-10-18-12-17)16-19-15(20-21-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,18H,3,6,9-12H2,1-2H3.
What are the key properties of 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63138318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).