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

C15H13N3O — CID 162667586

IUPAC5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESC1=CCC(c2nc(-c3ccc4[nH]ccc4c3)no2)C1
InChIInChI=1S/C15H13N3O/c1-2-4-10(3-1)15-17-14(18-19-15)12-5-6-13-11(9-12)7-8-16-13/h1-2,5-10,16H,3-4H2
InChIKeyKXBFQZBHPXEXHT-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.65
Rot. Bonds2

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

5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 162667586) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID162667586
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESC1=CCC(c2nc(-c3ccc4[nH]ccc4c3)no2)C1
InChIInChI=1S/C15H13N3O/c1-2-4-10(3-1)15-17-14(18-19-15)12-5-6-13-11(9-12)7-8-16-13/h1-2,5-10,16H,3-4H2
InChIKeyKXBFQZBHPXEXHT-UHFFFAOYSA-N
XLogP3.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 162667586) is 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole is C1=CCC(c2nc(-c3ccc4[nH]ccc4c3)no2)C1.
What is the InChIKey of 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KXBFQZBHPXEXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-10(3-1)15-17-14(18-19-15)12-5-6-13-11(9-12)7-8-16-13/h1-2,5-10,16H,3-4H2.
What are the key properties of 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-3-en-1-yl-3-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162667586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).