5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C16H13ClN2O2 — CID 705865

IUPAC5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-10-3-4-12(9-14(10)17)16-18-15(19-21-16)11-5-7-13(20-2)8-6-11/h3-9H,1-2H3
InChIKeyCWALAQUKCVWIMN-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.37
Rot. Bonds3

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

5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 705865) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID705865
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-10-3-4-12(9-14(10)17)16-18-15(19-21-16)11-5-7-13(20-2)8-6-11/h3-9H,1-2H3
InChIKeyCWALAQUKCVWIMN-UHFFFAOYSA-N
XLogP4.37
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.37
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
5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 803562
5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 2056784
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-(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
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 705865) is 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CWALAQUKCVWIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-3-4-12(9-14(10)17)16-18-15(19-21-16)11-5-7-13(20-2)8-6-11/h3-9H,1-2H3.
What are the key properties of 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 300.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).