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

C14H9BrN2O3 — CID 136809735

IUPAC4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-6-12(19)11(7-9)14-16-13(17-20-14)8-1-4-10(18)5-2-8/h1-7,18-19H
InChIKeyWOXRBNBSLSWVTL-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.58
Rot. Bonds2

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

4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136809735) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136809735
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-6-12(19)11(7-9)14-16-13(17-20-14)8-1-4-10(18)5-2-8/h1-7,18-19H
InChIKeyWOXRBNBSLSWVTL-UHFFFAOYSA-N
XLogP3.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885778
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
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-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136809735) is 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)cc1.
What is the InChIKey of 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WOXRBNBSLSWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-9-3-6-12(19)11(7-9)14-16-13(17-20-14)8-1-4-10(18)5-2-8/h1-7,18-19H.
What are the key properties of 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 333.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136809735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).