2-(5-Bromo-1-naphthyl)-5-methyl-1,3,4-oxadiazole

HCID 22115877
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Basic information

Standard SMILES
Cc1nnc(-c2cccc3c(Br)cccc23)o1
InChIKey
CSSHKBNNBPWMPH-UHFFFAOYSA-N
Molecular formula
C13H9BrN2O
Average molar mass
289.13 g/mol
Monoisotopic mass
287.98983

Names & identifiers

Preferred name
2-(5-Bromo-1-naphthyl)-5-methyl-1,3,4-oxadiazole
IUPAC
2-(5-bromonaphthalen-1-yl)-5-methyl-1,3,4-oxadiazole

Names & synonyms

SCHEMBL8177826CSSHKBNNBPWMPH-UHFFFAOYSA-N2-(5-Bromo-1-naphthyl)-5-methyl-1,3,4-oxadiazole

Database identifiers

PubChem CID
22115877

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
38.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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2-(5-Bromo-1-naphthyl)-5-methyl-1,3,4-oxadiazole (HCID 22115877)｜Huagongshe