5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C15H11ClN2O2 — CID 803562

IUPAC5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-8-4-10(5-9-13)14-17-15(20-18-14)11-2-6-12(16)7-3-11/h2-9H,1H3
InChIKeyNEAXSQKKYNELCG-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.07
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 803562) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID803562
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-8-4-10(5-9-13)14-17-15(20-18-14)11-2-6-12(16)7-3-11/h2-9H,1H3
InChIKeyNEAXSQKKYNELCG-UHFFFAOYSA-N
XLogP4.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 883674
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 44560736
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994
5-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 655985
5-(3-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666646
5-(4-Methoxybenzyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 705839
3-Benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 747211

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 803562) is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NEAXSQKKYNELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-19-13-8-4-10(5-9-13)14-17-15(20-18-14)11-2-6-12(16)7-3-11/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 286.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 803562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).