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

C14H8Br2N2O — CID 1121856

IUPAC3,5-bis(4-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C14H8Br2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyFRBUOCBLXNOMAX-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.93
Rot. Bonds2

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

3,5-bis(4-bromophenyl)-1,2,4-oxadiazole (PubChem CID 1121856) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-1,2,4-oxadiazole
PubChem CID1121856
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name3,5-bis(4-bromophenyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C14H8Br2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyFRBUOCBLXNOMAX-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 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole (CID 1121856) is 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole is Brc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole?
The InChIKey is FRBUOCBLXNOMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole?
3,5-bis(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 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1121856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).