5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole

C12H8ClN5O — CID 178100910

IUPAC5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
SMILESClCc1nc(-c2cccc(-c3cnccn3)n2)no1
InChIInChI=1S/C12H8ClN5O/c13-6-11-17-12(18-19-11)9-3-1-2-8(16-9)10-7-14-4-5-15-10/h1-5,7H,6H2
InChIKeyJXRIJAQZIHXWAT-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.33
Rot. Bonds3

About 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole

5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 178100910) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID178100910
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC Name5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
SMILESClCc1nc(-c2cccc(-c3cnccn3)n2)no1
InChIInChI=1S/C12H8ClN5O/c13-6-11-17-12(18-19-11)9-3-1-2-8(16-9)10-7-14-4-5-15-10/h1-5,7H,6H2
InChIKeyJXRIJAQZIHXWAT-UHFFFAOYSA-N
XLogP2.33
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

iron;2-(6-pyrazin-2-yl-2-pyridinyl)pyrazine
CID 175253430
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63845058
5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 178101047
5-(chloromethyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 97057636
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
1,1,1-trifluoro-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875
2-methyl-N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924115

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole (CID 178100910) is 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole is ClCc1nc(-c2cccc(-c3cnccn3)n2)no1.
What is the InChIKey of 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JXRIJAQZIHXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-6-11-17-12(18-19-11)9-3-1-2-8(16-9)10-7-14-4-5-15-10/h1-5,7H,6H2.
What are the key properties of 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 273.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 178100910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).