5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

C13H23N3O — CID 51075965

IUPAC5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCCC2CC)n1
InChIInChI=1S/C13H23N3O/c1-3-7-12-14-13(17-15-12)10-16-9-6-5-8-11(16)4-2/h11H,3-10H2,1-2H3
InChIKeyOYCCFWXWBIGDDM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.79
Rot. Bonds5

About 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 51075965) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID51075965
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCCC2CC)n1
InChIInChI=1S/C13H23N3O/c1-3-7-12-14-13(17-15-12)10-16-9-6-5-8-11(16)4-2/h11H,3-10H2,1-2H3
InChIKeyOYCCFWXWBIGDDM-UHFFFAOYSA-N
XLogP2.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 51075965) is 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCCCC2CC)n1.
What is the InChIKey of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is OYCCFWXWBIGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-12-14-13(17-15-12)10-16-9-6-5-8-11(16)4-2/h11H,3-10H2,1-2H3.
What are the key properties of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 51075965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).