4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

C15H10BrFN2O2 — CID 136885782

IUPAC4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(F)cc(-c2noc(-c3cc(Br)ccc3O)n2)c1
InChIInChI=1S/C15H10BrFN2O2/c1-8-4-9(6-11(17)5-8)14-18-15(21-19-14)12-7-10(16)2-3-13(12)20/h2-7,20H,1H3
InChIKeyAISUVLPFQIKYKC-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.32
Rot. Bonds2

About 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136885782) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136885782
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(F)cc(-c2noc(-c3cc(Br)ccc3O)n2)c1
InChIInChI=1S/C15H10BrFN2O2/c1-8-4-9(6-11(17)5-8)14-18-15(21-19-14)12-7-10(16)2-3-13(12)20/h2-7,20H,1H3
InChIKeyAISUVLPFQIKYKC-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

4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
4-bromo-3-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296620
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885778
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136885782) is 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(F)cc(-c2noc(-c3cc(Br)ccc3O)n2)c1.
What is the InChIKey of 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is AISUVLPFQIKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-8-4-9(6-11(17)5-8)14-18-15(21-19-14)12-7-10(16)2-3-13(12)20/h2-7,20H,1H3.
What are the key properties of 4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol 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-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136885782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).