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

C14H8BrClN2O2 — CID 136690616

IUPAC4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3cccc(Br)c3Cl)n2)cc1
InChIInChI=1S/C14H8BrClN2O2/c15-11-3-1-2-10(12(11)16)14-17-13(18-20-14)8-4-6-9(19)7-5-8/h1-7,19H
InChIKeyMEZZSTRMNWJPSP-UHFFFAOYSA-N
MW351.59 g/mol
LogP4.53
Rot. Bonds2

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

4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136690616) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136690616
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3cccc(Br)c3Cl)n2)cc1
InChIInChI=1S/C14H8BrClN2O2/c15-11-3-1-2-10(12(11)16)14-17-13(18-20-14)8-4-6-9(19)7-5-8/h1-7,19H
InChIKeyMEZZSTRMNWJPSP-UHFFFAOYSA-N
XLogP4.53
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 136690616) is 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3cccc(Br)c3Cl)n2)cc1.
What is the InChIKey of 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is MEZZSTRMNWJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-11-3-1-2-10(12(11)16)14-17-13(18-20-14)8-4-6-9(19)7-5-8/h1-7,19H.
What are the key properties of 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 351.59 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136690616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).