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

C14H8BrClN2O — CID 687082

IUPAC2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrClN2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyKYKJBVPFTHVCGH-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.82
Rot. Bonds2

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

2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 687082) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
PubChem CID687082
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrClN2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyKYKJBVPFTHVCGH-UHFFFAOYSA-N
XLogP4.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 6463631
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 154868597
2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 102300786
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 83884740
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole (CID 687082) is 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is KYKJBVPFTHVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H.
What are the key properties of 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 335.59 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 687082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).