5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole

C11H10N4O — CID 71922936

IUPAC5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=CCC(c2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C11H10N4O/c1-2-4-8(3-1)11-14-10(15-16-11)9-7-12-5-6-13-9/h1-2,5-8H,3-4H2
InChIKeyRGLQBXSSCFJKDA-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.96
Rot. Bonds2

About 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole

5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71922936) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71922936
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=CCC(c2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C11H10N4O/c1-2-4-8(3-1)11-14-10(15-16-11)9-7-12-5-6-13-9/h1-2,5-8H,3-4H2
InChIKeyRGLQBXSSCFJKDA-UHFFFAOYSA-N
XLogP1.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71922936) is 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole is C1=CCC(c2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is RGLQBXSSCFJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-2-4-8(3-1)11-14-10(15-16-11)9-7-12-5-6-13-9/h1-2,5-8H,3-4H2.
What are the key properties of 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 214.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-3-en-1-yl-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71922936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).