3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole

C15H19N3O2 — CID 167939537

IUPAC3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(CCc2nc(C3CCCC3)no2)n1
InChIInChI=1S/C15H19N3O2/c1-19-13-8-4-7-12(16-13)9-10-14-17-15(18-20-14)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyXVYJHAOKDCZCEN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.92
Rot. Bonds5

About 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole

3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole (PubChem CID 167939537) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
PubChem CID167939537
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(CCc2nc(C3CCCC3)no2)n1
InChIInChI=1S/C15H19N3O2/c1-19-13-8-4-7-12(16-13)9-10-14-17-15(18-20-14)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyXVYJHAOKDCZCEN-UHFFFAOYSA-N
XLogP2.92
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole (CID 167939537) is 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole is COc1cccc(CCc2nc(C3CCCC3)no2)n1.
What is the InChIKey of 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is XVYJHAOKDCZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-8-4-7-12(16-13)9-10-14-17-15(18-20-14)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3.
What are the key properties of 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167939537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).