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

C14H8BrClN2O3 — CID 107706897

IUPAC5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)c1
InChIInChI=1S/C14H8BrClN2O3/c15-11-5-7(1-2-12(11)16)13-17-14(21-18-13)8-3-9(19)6-10(20)4-8/h1-6,19-20H
InChIKeyCRANAXNNIIEZEI-UHFFFAOYSA-N
MW367.59 g/mol
LogP4.23
Rot. Bonds2

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

5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 107706897) has the molecular formula C14H8BrClN2O3 and a molecular weight of 367.59 g/mol. Its IUPAC name is 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID107706897
Molecular FormulaC14H8BrClN2O3
Molecular Weight367.59 g/mol
Exact Mass365.94
IUPAC Name5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)c1
InChIInChI=1S/C14H8BrClN2O3/c15-11-5-7(1-2-12(11)16)13-17-14(21-18-13)8-3-9(19)6-10(20)4-8/h1-6,19-20H
InChIKeyCRANAXNNIIEZEI-UHFFFAOYSA-N
XLogP4.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
CID 136924193
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 115565473
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
(1S)-2-amino-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837210
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 107706897) is 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cc(O)cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)c1.
What is the InChIKey of 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is CRANAXNNIIEZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O3/c15-11-5-7(1-2-12(11)16)13-17-14(21-18-13)8-3-9(19)6-10(20)4-8/h1-6,19-20H.
What are the key properties of 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 367.59 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107706897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).