3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole

C21H19N3O2 — CID 134344652

IUPAC3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc(-c4ccc(OC5CCCC5)cc4)no3)ccc2[nH]1
InChIInChI=1S/C21H19N3O2/c1-2-4-17(3-1)25-18-8-5-14(6-9-18)20-23-21(26-24-20)16-7-10-19-15(13-16)11-12-22-19/h5-13,17,22H,1-4H2
InChIKeyWKHOEAFPBIDRRE-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.21
Rot. Bonds4

About 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole

3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 134344652) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID134344652
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3nc(-c4ccc(OC5CCCC5)cc4)no3)ccc2[nH]1
InChIInChI=1S/C21H19N3O2/c1-2-4-17(3-1)25-18-8-5-14(6-9-18)20-23-21(26-24-20)16-7-10-19-15(13-16)11-12-22-19/h5-13,17,22H,1-4H2
InChIKeyWKHOEAFPBIDRRE-UHFFFAOYSA-N
XLogP5.21
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 134344652) is 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole is c1cc2cc(-c3nc(-c4ccc(OC5CCCC5)cc4)no3)ccc2[nH]1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is WKHOEAFPBIDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-4-17(3-1)25-18-8-5-14(6-9-18)20-23-21(26-24-20)16-7-10-19-15(13-16)11-12-22-19/h5-13,17,22H,1-4H2.
What are the key properties of 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 345.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 134344652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).