5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C13H12N4O — CID 128792048

IUPAC5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=CC2CC1CC2c1nc(-c2cnccn2)no1
InChIInChI=1S/C13H12N4O/c1-2-9-5-8(1)6-10(9)13-16-12(17-18-13)11-7-14-3-4-15-11/h1-4,7-10H,5-6H2
InChIKeyXGTUKXFAPBNYSD-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.21
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 128792048) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID128792048
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESC1=CC2CC1CC2c1nc(-c2cnccn2)no1
InChIInChI=1S/C13H12N4O/c1-2-9-5-8(1)6-10(9)13-16-12(17-18-13)11-7-14-3-4-15-11/h1-4,7-10H,5-6H2
InChIKeyXGTUKXFAPBNYSD-UHFFFAOYSA-N
XLogP2.21
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.21
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-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 128792048) is 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is C1=CC2CC1CC2c1nc(-c2cnccn2)no1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is XGTUKXFAPBNYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-9-5-8(1)6-10(9)13-16-12(17-18-13)11-7-14-3-4-15-11/h1-4,7-10H,5-6H2.
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 240.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 128792048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).