4-quinoxalin-2-yloxadiazole

C10H6N4O — CID 57196444

IUPAC4-quinoxalin-2-yloxadiazole
SMILESc1ccc2nc(-c3conn3)cnc2c1
InChIInChI=1S/C10H6N4O/c1-2-4-8-7(3-1)11-5-9(12-8)10-6-15-14-13-10/h1-6H
InChIKeyUJKRIZQBLBOYOL-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.68
Rot. Bonds1

About 4-quinoxalin-2-yloxadiazole

4-quinoxalin-2-yloxadiazole (PubChem CID 57196444) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-quinoxalin-2-yloxadiazole.

Molecular Properties

Compound Name4-quinoxalin-2-yloxadiazole
PubChem CID57196444
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name4-quinoxalin-2-yloxadiazole
SMILESc1ccc2nc(-c3conn3)cnc2c1
InChIInChI=1S/C10H6N4O/c1-2-4-8-7(3-1)11-5-9(12-8)10-6-15-14-13-10/h1-6H
InChIKeyUJKRIZQBLBOYOL-UHFFFAOYSA-N
XLogP1.68
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-yloxadiazole?
The IUPAC name of 4-quinoxalin-2-yloxadiazole (CID 57196444) is 4-quinoxalin-2-yloxadiazole.
What is the SMILES notation for 4-quinoxalin-2-yloxadiazole?
The canonical SMILES for 4-quinoxalin-2-yloxadiazole is c1ccc2nc(-c3conn3)cnc2c1.
What is the InChIKey of 4-quinoxalin-2-yloxadiazole?
The InChIKey is UJKRIZQBLBOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c1-2-4-8-7(3-1)11-5-9(12-8)10-6-15-14-13-10/h1-6H.
What are the key properties of 4-quinoxalin-2-yloxadiazole?
4-quinoxalin-2-yloxadiazole has a molecular weight of 198.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-yloxadiazole is sourced from PubChem (CID 57196444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).