2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole

C9H6BrFN2O — CID 114771364

IUPAC2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1Cc1nnc(Br)o1
InChIInChI=1S/C9H6BrFN2O/c10-9-13-12-8(14-9)5-6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyXUGYEYXMYSPXDV-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.56
Rot. Bonds2

About 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole

2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 114771364) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID114771364
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1Cc1nnc(Br)o1
InChIInChI=1S/C9H6BrFN2O/c10-9-13-12-8(14-9)5-6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyXUGYEYXMYSPXDV-UHFFFAOYSA-N
XLogP2.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 114771364) is 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole is Fc1ccccc1Cc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is XUGYEYXMYSPXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-9-13-12-8(14-9)5-6-3-1-2-4-7(6)11/h1-4H,5H2.
What are the key properties of 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 257.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 114771364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).