5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C15H10BrFN2O2 — CID 107282960

IUPAC5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(F)cc3Br)no2)cc1O
InChIInChI=1S/C15H10BrFN2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)11-5-4-10(17)7-12(11)16/h2-7,20H,1H3
InChIKeyGOEOTRDFMKOHDD-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.32
Rot. Bonds2

About 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 107282960) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID107282960
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(F)cc3Br)no2)cc1O
InChIInChI=1S/C15H10BrFN2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)11-5-4-10(17)7-12(11)16/h2-7,20H,1H3
InChIKeyGOEOTRDFMKOHDD-UHFFFAOYSA-N
XLogP4.32
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136843029
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 107280106
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 107282960) is 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is Cc1ccc(-c2nc(-c3ccc(F)cc3Br)no2)cc1O.
What is the InChIKey of 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is GOEOTRDFMKOHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)11-5-4-10(17)7-12(11)16/h2-7,20H,1H3.
What are the key properties of 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 349.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 107282960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).