5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole

C15H12ClN3O — CID 97057988

IUPAC5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2noc(-c3ccc(Cl)nc3)n2)c1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-10(2)12(7-9)14-18-15(20-19-14)11-5-6-13(16)17-8-11/h3-8H,1-2H3
InChIKeyJWOQAVJATXTKQC-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.07
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole (PubChem CID 97057988) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
PubChem CID97057988
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2noc(-c3ccc(Cl)nc3)n2)c1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-10(2)12(7-9)14-18-15(20-19-14)11-5-6-13(16)17-8-11/h3-8H,1-2H3
InChIKeyJWOQAVJATXTKQC-UHFFFAOYSA-N
XLogP4.07
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(6-chloro-3-pyridinyl)-3-(2,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97057991
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
3-(6-chloro-3-pyridinyl)-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46909302
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518349
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole (CID 97057988) is 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole is Cc1ccc(C)c(-c2noc(-c3ccc(Cl)nc3)n2)c1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole?
The InChIKey is JWOQAVJATXTKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-3-4-10(2)12(7-9)14-18-15(20-19-14)11-5-6-13(16)17-8-11/h3-8H,1-2H3.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole has a molecular weight of 285.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97057988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).