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

C14H8Br2N2O — CID 5222893

IUPAC5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C14H8Br2N2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyBZXYLDRZOAJJFC-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.93
Rot. Bonds2

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

5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole (PubChem CID 5222893) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole
PubChem CID5222893
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3ccccc3Br)n2)cc1
InChIInChI=1S/C14H8Br2N2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyBZXYLDRZOAJJFC-UHFFFAOYSA-N
XLogP4.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.93
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-bromophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole (CID 5222893) is 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole is Brc1ccc(-c2noc(-c3ccccc3Br)n2)cc1.
What is the InChIKey of 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole?
The InChIKey is BZXYLDRZOAJJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H.
What are the key properties of 5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(4-bromophenyl)-1,2,4-oxadiazole has a molecular weight of 380.04 g/mol, XLogP of 4.93, 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-bromophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 5222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).