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

C15H10BrClN2O2 — CID 2161535

IUPAC2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C15H10BrClN2O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)9-20-11-7-5-10(17)6-8-11/h1-8H,9H2
InChIKeyATFGNUOGDLHABT-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.73
Rot. Bonds4

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

2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 2161535) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID2161535
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C15H10BrClN2O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)9-20-11-7-5-10(17)6-8-11/h1-8H,9H2
InChIKeyATFGNUOGDLHABT-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole (CID 2161535) is 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole is Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is ATFGNUOGDLHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)9-20-11-7-5-10(17)6-8-11/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(4-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-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2161535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).