2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole

C9H6Br2N2O — CID 104523710

IUPAC2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C9H6Br2N2O/c1-5-12-13-9(14-5)6-2-7(10)4-8(11)3-6/h2-4H,1H3
InChIKeyQRDNPMYUDIIFBN-UHFFFAOYSA-N
MW317.97 g/mol
LogP3.57
Rot. Bonds1

About 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole

2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 104523710) has the molecular formula C9H6Br2N2O and a molecular weight of 317.97 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID104523710
Molecular FormulaC9H6Br2N2O
Molecular Weight317.97 g/mol
Exact Mass315.88
IUPAC Name2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C9H6Br2N2O/c1-5-12-13-9(14-5)6-2-7(10)4-8(11)3-6/h2-4H,1H3
InChIKeyQRDNPMYUDIIFBN-UHFFFAOYSA-N
XLogP3.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
2-(3,5-dibromophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58961736
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 170557742
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
5-bromo-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 67057573
2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104851677
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107980690
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 130621952

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole (CID 104523710) is 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is QRDNPMYUDIIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O/c1-5-12-13-9(14-5)6-2-7(10)4-8(11)3-6/h2-4H,1H3.
What are the key properties of 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole?
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 317.97 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 104523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).