3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole

C15H9N5O — CID 39819329

IUPAC3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccc4nccnc34)n2)nc1
InChIInChI=1S/C15H9N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h1-9H
InChIKeyYKPKRWIOJGVXLW-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.74
Rot. Bonds2

About 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole

3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole (PubChem CID 39819329) has the molecular formula C15H9N5O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
PubChem CID39819329
Molecular FormulaC15H9N5O
Molecular Weight275.27 g/mol
Exact Mass275.08
IUPAC Name3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccc4nccnc34)n2)nc1
InChIInChI=1S/C15H9N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h1-9H
InChIKeyYKPKRWIOJGVXLW-UHFFFAOYSA-N
XLogP2.74
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39781740
3-pyrazin-2-yl-5-quinolin-8-yl-1,2,4-oxadiazole
CID 97014533
5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1484241
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 59047177
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 28736924

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole (CID 39819329) is 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cccc4nccnc34)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The InChIKey is YKPKRWIOJGVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O/c1-2-7-16-12(5-1)14-19-15(21-20-14)10-4-3-6-11-13(10)18-9-8-17-11/h1-9H.
What are the key properties of 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole?
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole has a molecular weight of 275.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 39819329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).