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

C14H7BrCl2N2O2 — CID 136920369

IUPAC2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C14H7BrCl2N2O2/c15-10-5-7(1-3-11(10)17)13-18-14(21-19-13)9-6-8(16)2-4-12(9)20/h1-6,20H
InChIKeyCEPPOKLEGVGJIR-UHFFFAOYSA-N
MW386.03 g/mol
LogP5.18
Rot. Bonds2

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

2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol (PubChem CID 136920369) has the molecular formula C14H7BrCl2N2O2 and a molecular weight of 386.03 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
PubChem CID136920369
Molecular FormulaC14H7BrCl2N2O2
Molecular Weight386.03 g/mol
Exact Mass383.91
IUPAC Name2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C14H7BrCl2N2O2/c15-10-5-7(1-3-11(10)17)13-18-14(21-19-13)9-6-8(16)2-4-12(9)20/h1-6,20H
InChIKeyCEPPOKLEGVGJIR-UHFFFAOYSA-N
XLogP5.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.03
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
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
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 82788705
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The IUPAC name of 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol (CID 136920369) is 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol.
What is the SMILES notation for 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The canonical SMILES for 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol is Oc1ccc(Cl)cc1-c1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
The InChIKey is CEPPOKLEGVGJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O2/c15-10-5-7(1-3-11(10)17)13-18-14(21-19-13)9-6-8(16)2-4-12(9)20/h1-6,20H.
What are the key properties of 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol?
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol has a molecular weight of 386.03 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol is sourced from PubChem (CID 136920369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).