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

C14H25N3O — CID 63137913

IUPAC3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)(C)C)no2)CCCNC1
InChIInChI=1S/C14H25N3O/c1-5-7-14(8-6-9-15-10-14)12-16-11(17-18-12)13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyRHGULNIYZHDODY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.79
Rot. Bonds3

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

3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63137913) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID63137913
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)(C)C)no2)CCCNC1
InChIInChI=1S/C14H25N3O/c1-5-7-14(8-6-9-15-10-14)12-16-11(17-18-12)13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyRHGULNIYZHDODY-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-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65133231
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
5-(3-ethylpiperidin-3-yl)-3-(3-methoxypentan-3-yl)-1,2,4-oxadiazole
CID 116741140
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
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-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 63137913) is 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C(C)(C)C)no2)CCCNC1.
What is the InChIKey of 3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RHGULNIYZHDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-14(8-6-9-15-10-14)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-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(3-propylpiperidin-3-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-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63137913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).