5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

C14H25N3O — CID 143714152

IUPAC5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C14H25N3O/c1-5-6-11-7-9-17(10-8-11)13-15-12(18-16-13)14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQJHHWDHDMRWKJS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.38
Rot. Bonds3

About 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 143714152) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID143714152
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C14H25N3O/c1-5-6-11-7-9-17(10-8-11)13-15-12(18-16-13)14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQJHHWDHDMRWKJS-UHFFFAOYSA-N
XLogP3.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (CID 143714152) is 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is CCCC1CCN(c2noc(C(C)(C)C)n2)CC1.
What is the InChIKey of 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is QJHHWDHDMRWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-11-7-9-17(10-8-11)13-15-12(18-16-13)14(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 251.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 143714152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).