5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C14H7BrCl2N2O — CID 19326705

IUPAC5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cccc(Br)c3)n2)c(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)14-18-13(19-20-14)11-5-4-10(16)7-12(11)17/h1-7H
InChIKeyHSZSQBWNHRSXIX-UHFFFAOYSA-N
MW370.03 g/mol
LogP5.47
Rot. Bonds2

About 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19326705) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19326705
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cccc(Br)c3)n2)c(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)14-18-13(19-20-14)11-5-4-10(16)7-12(11)17/h1-7H
InChIKeyHSZSQBWNHRSXIX-UHFFFAOYSA-N
XLogP5.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.03
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 61399103
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 19326650
3-(3-bromophenyl)-5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazole
CID 8895447
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326649
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19326705) is 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3cccc(Br)c3)n2)c(Cl)c1.
What is the InChIKey of 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is HSZSQBWNHRSXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)14-18-13(19-20-14)11-5-4-10(16)7-12(11)17/h1-7H.
What are the key properties of 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 370.03 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).