2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole

C12H13N3O — CID 53017492

IUPAC2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(C3CCCC3)o2)ccn1
InChIInChI=1S/C12H13N3O/c1-2-4-9(3-1)11-14-15-12(16-11)10-5-7-13-8-6-10/h5-9H,1-4H2
InChIKeyGOXUUZJUMQILBG-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.79
Rot. Bonds2

About 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole

2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 53017492) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID53017492
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(C3CCCC3)o2)ccn1
InChIInChI=1S/C12H13N3O/c1-2-4-9(3-1)11-14-15-12(16-11)10-5-7-13-8-6-10/h5-9H,1-4H2
InChIKeyGOXUUZJUMQILBG-UHFFFAOYSA-N
XLogP2.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole (CID 53017492) is 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(C3CCCC3)o2)ccn1.
What is the InChIKey of 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is GOXUUZJUMQILBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-9(3-1)11-14-15-12(16-11)10-5-7-13-8-6-10/h5-9H,1-4H2.
What are the key properties of 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole?
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 215.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).