3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole

C12H21N3O — CID 121458460

IUPAC3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(C(C)(C)C)CC2)no1
InChIInChI=1S/C12H21N3O/c1-9-13-11(14-16-9)10-5-7-15(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyWAFLCGWVEZIFEN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.36
Rot. Bonds1

About 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole

3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole (PubChem CID 121458460) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole
PubChem CID121458460
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(C(C)(C)C)CC2)no1
InChIInChI=1S/C12H21N3O/c1-9-13-11(14-16-9)10-5-7-15(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyWAFLCGWVEZIFEN-UHFFFAOYSA-N
XLogP2.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole (CID 121458460) is 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCN(C(C)(C)C)CC2)no1.
What is the InChIKey of 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is WAFLCGWVEZIFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-13-11(14-16-9)10-5-7-15(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole?
3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpiperidin-4-yl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 121458460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).