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

C15H9BrCl2N2O2 — CID 1325823

IUPAC2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O2/c16-11-4-2-1-3-10(11)15-20-19-14(22-15)8-21-13-6-5-9(17)7-12(13)18/h1-7H,8H2
InChIKeyZGFBTOFQEKGCTM-UHFFFAOYSA-N
MW400.06 g/mol
LogP5.38
Rot. Bonds4

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

2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 1325823) has the molecular formula C15H9BrCl2N2O2 and a molecular weight of 400.06 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID1325823
Molecular FormulaC15H9BrCl2N2O2
Molecular Weight400.06 g/mol
Exact Mass397.92
IUPAC Name2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O2/c16-11-4-2-1-3-10(11)15-20-19-14(22-15)8-21-13-6-5-9(17)7-12(13)18/h1-7H,8H2
InChIKeyZGFBTOFQEKGCTM-UHFFFAOYSA-N
XLogP5.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 55.38
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-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole (CID 1325823) is 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole is Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is ZGFBTOFQEKGCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O2/c16-11-4-2-1-3-10(11)15-20-19-14(22-15)8-21-13-6-5-9(17)7-12(13)18/h1-7H,8H2.
What are the key properties of 2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 400.06 g/mol, XLogP of 5.38, 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-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 1325823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).