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

C11H8BrClN2O — CID 104524995

IUPAC2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C3CC3)o2)c(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-9-5-7(13)3-4-8(9)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2
InChIKeyCWFWZJOBSXQINN-UHFFFAOYSA-N
MW299.56 g/mol
LogP4.03
Rot. Bonds2

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

2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 104524995) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID104524995
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C3CC3)o2)c(Br)c1
InChIInChI=1S/C11H8BrClN2O/c12-9-5-7(13)3-4-8(9)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2
InChIKeyCWFWZJOBSXQINN-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole (CID 104524995) is 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole is Clc1ccc(-c2nnc(C3CC3)o2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is CWFWZJOBSXQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-9-5-7(13)3-4-8(9)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 299.56 g/mol, XLogP of 4.03, 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-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 104524995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).