2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole

C11H10BrClN2O — CID 104530681

IUPAC2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H10BrClN2O/c1-6(2)10-14-15-11(16-10)8-4-3-7(13)5-9(8)12/h3-6H,1-2H3
InChIKeyLHVDDHZAKFQOBO-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 104530681) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID104530681
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H10BrClN2O/c1-6(2)10-14-15-11(16-10)8-4-3-7(13)5-9(8)12/h3-6H,1-2H3
InChIKeyLHVDDHZAKFQOBO-UHFFFAOYSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085
2-[(2-bromo-4-chlorophenoxy)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71880151
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 104524995
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035148
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
2-(4-bromo-2-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 115368709
5-bromo-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273289
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 7171213

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 104530681) is 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2ccc(Cl)cc2Br)o1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is LHVDDHZAKFQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-6(2)10-14-15-11(16-10)8-4-3-7(13)5-9(8)12/h3-6H,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 301.57 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 104530681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).