5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole

C11H5BrF2N2O2 — CID 167782744

IUPAC5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)c1noc(-c2cc3ccc(Br)cc3o2)n1
InChIInChI=1S/C11H5BrF2N2O2/c12-6-2-1-5-3-8(17-7(5)4-6)11-15-10(9(13)14)16-18-11/h1-4,9H
InChIKeyJIMJIBOYDWOYHX-UHFFFAOYSA-N
MW315.07 g/mol
LogP4.18
Rot. Bonds2

About 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole

5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole (PubChem CID 167782744) has the molecular formula C11H5BrF2N2O2 and a molecular weight of 315.07 g/mol. Its IUPAC name is 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole
PubChem CID167782744
Molecular FormulaC11H5BrF2N2O2
Molecular Weight315.07 g/mol
Exact Mass313.95
IUPAC Name5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)c1noc(-c2cc3ccc(Br)cc3o2)n1
InChIInChI=1S/C11H5BrF2N2O2/c12-6-2-1-5-3-8(17-7(5)4-6)11-15-10(9(13)14)16-18-11/h1-4,9H
InChIKeyJIMJIBOYDWOYHX-UHFFFAOYSA-N
XLogP4.18
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660772
2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653521
7-bromo-2-(7-bromobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108528
3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 167771887
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325188
1-[5-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634800
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
1-[5-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325627
1-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324411
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635299
2-amino-2-[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107333439

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole (CID 167782744) is 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole is FC(F)c1noc(-c2cc3ccc(Br)cc3o2)n1.
What is the InChIKey of 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole?
The InChIKey is JIMJIBOYDWOYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2N2O2/c12-6-2-1-5-3-8(17-7(5)4-6)11-15-10(9(13)14)16-18-11/h1-4,9H.
What are the key properties of 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole?
5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole has a molecular weight of 315.07 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).