5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole

C11H19N3O — CID 63014682

IUPAC5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyFQYUNTKHHCNYBQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds3

About 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole

5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 63014682) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID63014682
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyFQYUNTKHHCNYBQ-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86812269
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 68820972
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole (CID 63014682) is 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole is CCC(C)c1nc(C2CCNCC2)no1.
What is the InChIKey of 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is FQYUNTKHHCNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole?
5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63014682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).