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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Related Compounds

1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
5-[(2-fluorophenyl)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596743
2-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]ethanol
CID 111433038
5-[(2-fluorophenyl)methyl]-N-[(4-methyloxan-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86801639
3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 172637194
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95228208
2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414
3-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 84708074

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).