3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole

C13H23N3O — CID 114085116

IUPAC3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2NCCCC2(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-9(2)11-15-12(17-16-11)10-13(3,4)7-6-8-14-10/h9-10,14H,5-8H2,1-4H3
InChIKeyQUMXQMYPCZDAHG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds3

About 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole

3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114085116) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114085116
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2NCCCC2(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-9(2)11-15-12(17-16-11)10-13(3,4)7-6-8-14-10/h9-10,14H,5-8H2,1-4H3
InChIKeyQUMXQMYPCZDAHG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371942
3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071344
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
3-butan-2-yl-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983393
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 107182956
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 107179971
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116703281

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114085116) is 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC(C)c1noc(C2NCCCC2(C)C)n1.
What is the InChIKey of 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is QUMXQMYPCZDAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-9(2)11-15-12(17-16-11)10-13(3,4)7-6-8-14-10/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114085116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).