5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole

C13H13ClN2O2 — CID 171520169

IUPAC5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(OC3CCCC3)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c14-13-15-12(16-18-13)9-5-7-11(8-6-9)17-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyFXWXAKZJBNHGAV-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.71
Rot. Bonds3

About 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole

5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole (PubChem CID 171520169) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole
PubChem CID171520169
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(OC3CCCC3)cc2)no1
InChIInChI=1S/C13H13ClN2O2/c14-13-15-12(16-18-13)9-5-7-11(8-6-9)17-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyFXWXAKZJBNHGAV-UHFFFAOYSA-N
XLogP3.71
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole (CID 171520169) is 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole is Clc1nc(-c2ccc(OC3CCCC3)cc2)no1.
What is the InChIKey of 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is FXWXAKZJBNHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-13-15-12(16-18-13)9-5-7-11(8-6-9)17-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole?
5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 264.71 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 171520169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).