5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C12H5BrF3N3O2 — CID 10291989

IUPAC5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)nc1
InChIInChI=1S/C12H5BrF3N3O2/c13-7-3-4-20-9(7)11-18-10(19-21-11)8-2-1-6(5-17-8)12(14,15)16/h1-5H
InChIKeySYMWZIQCLDZKKV-UHFFFAOYSA-N
MW360.09 g/mol
LogP4.17
Rot. Bonds2

About 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 10291989) has the molecular formula C12H5BrF3N3O2 and a molecular weight of 360.09 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID10291989
Molecular FormulaC12H5BrF3N3O2
Molecular Weight360.09 g/mol
Exact Mass358.95
IUPAC Name5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)nc1
InChIInChI=1S/C12H5BrF3N3O2/c13-7-3-4-20-9(7)11-18-10(19-21-11)8-2-1-6(5-17-8)12(14,15)16/h1-5H
InChIKeySYMWZIQCLDZKKV-UHFFFAOYSA-N
XLogP4.17
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 10291989) is 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)nc1.
What is the InChIKey of 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is SYMWZIQCLDZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF3N3O2/c13-7-3-4-20-9(7)11-18-10(19-21-11)8-2-1-6(5-17-8)12(14,15)16/h1-5H.
What are the key properties of 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 360.09 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10291989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).