3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

C13H23N3O — CID 62216210

IUPAC3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)8-7-10-6-4-5-9-14-10/h10,14H,4-9H2,1-3H3
InChIKeyDFKLYTDTCMJBBS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.44
Rot. Bonds3

About 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 62216210) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID62216210
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)8-7-10-6-4-5-9-14-10/h10,14H,4-9H2,1-3H3
InChIKeyDFKLYTDTCMJBBS-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116740295
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
3-(5,6-dimethyl-1,4-dithian-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103344468
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 79959987
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617692
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081647

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (CID 62216210) is 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is CC(C)(C)c1noc(CCC2CCCCN2)n1.
What is the InChIKey of 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is DFKLYTDTCMJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)8-7-10-6-4-5-9-14-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.44, 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-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).