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

C13H23N3O — CID 63718510

IUPAC3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2(CC)CCCNC2)n1
InChIInChI=1S/C13H23N3O/c1-4-10(3)11-15-12(17-16-11)13(5-2)7-6-8-14-9-13/h10,14H,4-9H2,1-3H3
InChIKeyJFUPTASLCXLSKN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds4

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

3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63718510) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID63718510
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2(CC)CCCNC2)n1
InChIInChI=1S/C13H23N3O/c1-4-10(3)11-15-12(17-16-11)13(5-2)7-6-8-14-9-13/h10,14H,4-9H2,1-3H3
InChIKeyJFUPTASLCXLSKN-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole (CID 63718510) is 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole is CCC(C)c1noc(C2(CC)CCCNC2)n1.
What is the InChIKey of 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JFUPTASLCXLSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-10(3)11-15-12(17-16-11)13(5-2)7-6-8-14-9-13/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole?
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.61, 4 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-ethylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63718510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).