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

C14H7BrCl2N2O — CID 8895091

IUPAC3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccc(Br)c3)no2)c(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)13-18-14(20-19-13)11-5-4-10(16)7-12(11)17/h1-7H
InChIKeyDENSFQOZYIZBFA-UHFFFAOYSA-N
MW370.03 g/mol
LogP5.47
Rot. Bonds2

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

3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 8895091) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID8895091
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccc(Br)c3)no2)c(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)13-18-14(20-19-13)11-5-4-10(16)7-12(11)17/h1-7H
InChIKeyDENSFQOZYIZBFA-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

5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
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-(3-bromophenyl)-5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazole
CID 8895447
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 8895091) is 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3cccc(Br)c3)no2)c(Cl)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is DENSFQOZYIZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-9-3-1-2-8(6-9)13-18-14(20-19-13)11-5-4-10(16)7-12(11)17/h1-7H.
What are the key properties of 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(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 3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8895091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).