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

C14H8Br2N2O2 — CID 136716235

IUPAC4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(Br)cc3Br)n2)cc1
InChIInChI=1S/C14H8Br2N2O2/c15-9-3-6-11(12(16)7-9)14-17-13(18-20-14)8-1-4-10(19)5-2-8/h1-7,19H
InChIKeyFWFFQAYXONBRPQ-UHFFFAOYSA-N
MW396.04 g/mol
LogP4.63
Rot. Bonds2

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

4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136716235) has the molecular formula C14H8Br2N2O2 and a molecular weight of 396.04 g/mol. Its IUPAC name is 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136716235
Molecular FormulaC14H8Br2N2O2
Molecular Weight396.04 g/mol
Exact Mass393.90
IUPAC Name4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(Br)cc3Br)n2)cc1
InChIInChI=1S/C14H8Br2N2O2/c15-9-3-6-11(12(16)7-9)14-17-13(18-20-14)8-1-4-10(19)5-2-8/h1-7,19H
InChIKeyFWFFQAYXONBRPQ-UHFFFAOYSA-N
XLogP4.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136690616
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103763599
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 136716235) is 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3ccc(Br)cc3Br)n2)cc1.
What is the InChIKey of 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is FWFFQAYXONBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2/c15-9-3-6-11(12(16)7-9)14-17-13(18-20-14)8-1-4-10(19)5-2-8/h1-7,19H.
What are the key properties of 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 396.04 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136716235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).