2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole

C15H10Br2N2O — CID 86008820

IUPAC2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(Br)c(-c2nnc(-c3ccccc3)o2)cc1Br
InChIInChI=1S/C15H10Br2N2O/c1-9-7-13(17)11(8-12(9)16)15-19-18-14(20-15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCSXGXLXRDKQKHJ-UHFFFAOYSA-N
MW394.07 g/mol
LogP5.24
Rot. Bonds2

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

2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 86008820) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID86008820
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(Br)c(-c2nnc(-c3ccccc3)o2)cc1Br
InChIInChI=1S/C15H10Br2N2O/c1-9-7-13(17)11(8-12(9)16)15-19-18-14(20-15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCSXGXLXRDKQKHJ-UHFFFAOYSA-N
XLogP5.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 102706038
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
7-bromo-11-oxa-3,4-diazatricyclo[4.2.2.12,5]undeca-1(8),2,4,6,9-pentaene
CID 70522554
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 71221239
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
CID 133403761
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole (CID 86008820) is 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole is Cc1cc(Br)c(-c2nnc(-c3ccccc3)o2)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CSXGXLXRDKQKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c1-9-7-13(17)11(8-12(9)16)15-19-18-14(20-15)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 394.07 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 86008820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).