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

C16H13ClN2O — CID 931247

IUPAC5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-3-6-12(7-4-10)15-18-16(20-19-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3
InChIKeySTIANAQMZNMIPR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.67
Rot. Bonds2

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

5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 931247) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID931247
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-3-6-12(7-4-10)15-18-16(20-19-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3
InChIKeySTIANAQMZNMIPR-UHFFFAOYSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63195138
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 931247) is 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is STIANAQMZNMIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-3-6-12(7-4-10)15-18-16(20-19-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3.
What are the key properties of 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 284.75 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 931247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).