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

C15H11ClN2O — CID 745721

IUPAC5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9H,1H3
InChIKeyYCVYWHZYMUQAQI-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.37
Rot. Bonds2

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

5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 745721) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID745721
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9H,1H3
InChIKeyYCVYWHZYMUQAQI-UHFFFAOYSA-N
XLogP4.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 745721) is 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is YCVYWHZYMUQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 270.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).