3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole

C11H19N3O — CID 51076072

IUPAC3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCC(C)CC2)n1
InChIInChI=1S/C11H19N3O/c1-8-4-6-14(7-5-8)9(2)11-12-10(3)13-15-11/h8-9H,4-7H2,1-3H3
InChIKeyZERXJHKDDKNDOB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.17
Rot. Bonds2

About 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole

3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 51076072) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID51076072
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCC(C)CC2)n1
InChIInChI=1S/C11H19N3O/c1-8-4-6-14(7-5-8)9(2)11-12-10(3)13-15-11/h8-9H,4-7H2,1-3H3
InChIKeyZERXJHKDDKNDOB-UHFFFAOYSA-N
XLogP2.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (CID 51076072) is 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is Cc1noc(C(C)N2CCC(C)CC2)n1.
What is the InChIKey of 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is ZERXJHKDDKNDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-4-6-14(7-5-8)9(2)11-12-10(3)13-15-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51076072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).