5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole

C15H10BrF3N2O — CID 143910147

IUPAC5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(Br)cc(C2=NC(c3ccccc3)NO2)c1
InChIInChI=1S/C15H10BrF3N2O/c16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-8,13,21H
InChIKeyBYKURZZGWUPMOB-UHFFFAOYSA-N
MW371.16 g/mol
LogP4.45
Rot. Bonds2

About 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole

5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 143910147) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole
PubChem CID143910147
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(Br)cc(C2=NC(c3ccccc3)NO2)c1
InChIInChI=1S/C15H10BrF3N2O/c16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-8,13,21H
InChIKeyBYKURZZGWUPMOB-UHFFFAOYSA-N
XLogP4.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-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-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole (CID 143910147) is 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole is FC(F)(F)c1cc(Br)cc(C2=NC(c3ccccc3)NO2)c1.
What is the InChIKey of 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is BYKURZZGWUPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c16-12-7-10(6-11(8-12)15(17,18)19)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-8,13,21H.
What are the key properties of 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole?
5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 371.16 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenyl-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).