2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole

C10H8BrClN2O2 — CID 39430952

IUPAC2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(COc2ccccc2Br)o1
InChIInChI=1S/C10H8BrClN2O2/c11-7-3-1-2-4-8(7)15-6-10-14-13-9(5-12)16-10/h1-4H,5-6H2
InChIKeyCUIRRBMNAIOWAI-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole

2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 39430952) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID39430952
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(COc2ccccc2Br)o1
InChIInChI=1S/C10H8BrClN2O2/c11-7-3-1-2-4-8(7)15-6-10-14-13-9(5-12)16-10/h1-4H,5-6H2
InChIKeyCUIRRBMNAIOWAI-UHFFFAOYSA-N
XLogP3.15
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-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

Related Compounds

2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
2-[[5-[(2-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 53263484
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
2-(2-chloroethyl)-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 39380749
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754836

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole (CID 39430952) is 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole is ClCc1nnc(COc2ccccc2Br)o1.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is CUIRRBMNAIOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c11-7-3-1-2-4-8(7)15-6-10-14-13-9(5-12)16-10/h1-4H,5-6H2.
What are the key properties of 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole?
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole has a molecular weight of 303.54 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39430952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).