2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole

C15H10BrClN2O2 — CID 2091123

IUPAC2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10BrClN2O2/c16-11-6-2-1-5-10(11)15-19-18-14(21-15)9-20-13-8-4-3-7-12(13)17/h1-8H,9H2
InChIKeyAJVKUWRKUUSINF-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.73
Rot. Bonds4

About 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 2091123) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID2091123
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10BrClN2O2/c16-11-6-2-1-5-10(11)15-19-18-14(21-15)9-20-13-8-4-3-7-12(13)17/h1-8H,9H2
InChIKeyAJVKUWRKUUSINF-UHFFFAOYSA-N
XLogP4.73
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole (CID 2091123) is 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole is Clc1ccccc1OCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is AJVKUWRKUUSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-11-6-2-1-5-10(11)15-19-18-14(21-15)9-20-13-8-4-3-7-12(13)17/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 365.61 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2091123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).