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

C15H10BrFN2O2 — CID 136751174

IUPAC4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2nc(-c3cc(F)cc(Br)c3)no2)ccc1O
InChIInChI=1S/C15H10BrFN2O2/c1-8-4-9(2-3-13(8)20)15-18-14(19-21-15)10-5-11(16)7-12(17)6-10/h2-7,20H,1H3
InChIKeyOSGBZJVPVZFEQG-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.32
Rot. Bonds2

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

4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 136751174) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID136751174
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2nc(-c3cc(F)cc(Br)c3)no2)ccc1O
InChIInChI=1S/C15H10BrFN2O2/c1-8-4-9(2-3-13(8)20)15-18-14(19-21-15)10-5-11(16)7-12(17)6-10/h2-7,20H,1H3
InChIKeyOSGBZJVPVZFEQG-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

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Related Compounds

2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 66423613
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66424909
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660777
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 136751174) is 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is Cc1cc(-c2nc(-c3cc(F)cc(Br)c3)no2)ccc1O.
What is the InChIKey of 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is OSGBZJVPVZFEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-8-4-9(2-3-13(8)20)15-18-14(19-21-15)10-5-11(16)7-12(17)6-10/h2-7,20H,1H3.
What are the key properties of 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
4-[3-(3-bromo-5-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 4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 136751174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).