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

C14H25N3O — CID 63126026

IUPAC3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)(C)C)no2)CCNCC1
InChIInChI=1S/C14H25N3O/c1-5-6-14(7-9-15-10-8-14)12-16-11(17-18-12)13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyNUMCLFDTYMWEST-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.79
Rot. Bonds3

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

3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63126026) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63126026
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)(C)C)no2)CCNCC1
InChIInChI=1S/C14H25N3O/c1-5-6-14(7-9-15-10-8-14)12-16-11(17-18-12)13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyNUMCLFDTYMWEST-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-(2-ethoxypropan-2-yl)-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704565
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(1-ethoxybutyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116702434
5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 63125978
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116740626

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63126026) is 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C(C)(C)C)no2)CCNCC1.
What is the InChIKey of 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NUMCLFDTYMWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-14(7-9-15-10-8-14)12-16-11(17-18-12)13(2,3)4/h15H,5-10H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 251.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63126026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).