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

C14H7BrClFN2O2 — CID 136850138

IUPAC2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
SMILESOc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C14H7BrClFN2O2/c15-11-6-8(17)2-4-9(11)13-18-14(21-19-13)10-3-1-7(16)5-12(10)20/h1-6,20H
InChIKeyUKISVIAVAGDJOS-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.66
Rot. Bonds2

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

2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol (PubChem CID 136850138) has the molecular formula C14H7BrClFN2O2 and a molecular weight of 369.58 g/mol. Its IUPAC name is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol.

Molecular Properties

Compound Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
PubChem CID136850138
Molecular FormulaC14H7BrClFN2O2
Molecular Weight369.58 g/mol
Exact Mass367.94
IUPAC Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
SMILESOc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C14H7BrClFN2O2/c15-11-6-8(17)2-4-9(11)13-18-14(21-19-13)10-3-1-7(16)5-12(10)20/h1-6,20H
InChIKeyUKISVIAVAGDJOS-UHFFFAOYSA-N
XLogP4.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
2-amino-4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136843029
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 107280106
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 107280132
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82811580

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol?
The IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol (CID 136850138) is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol.
What is the SMILES notation for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol?
The canonical SMILES for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol is Oc1cc(Cl)ccc1-c1nc(-c2ccc(F)cc2Br)no1.
What is the InChIKey of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol?
The InChIKey is UKISVIAVAGDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O2/c15-11-6-8(17)2-4-9(11)13-18-14(21-19-13)10-3-1-7(16)5-12(10)20/h1-6,20H.
What are the key properties of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol?
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol has a molecular weight of 369.58 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol is sourced from PubChem (CID 136850138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).