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

C15H11BrN2O — CID 867101

IUPAC5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C15H11BrN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
InChIKeyIJJVPMHKKLHRRK-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.47
Rot. Bonds2

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

5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 867101) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID867101
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C15H11BrN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
InChIKeyIJJVPMHKKLHRRK-UHFFFAOYSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 867101) is 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccccc3Br)n2)cc1.
What is the InChIKey of 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IJJVPMHKKLHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3.
What are the key properties of 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 315.17 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 867101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).