2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole

C9H5Cl3N2O — CID 2763466

IUPAC2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyNTJXILNOEFQNJR-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.78
Rot. Bonds2

About 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 2763466) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID2763466
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyNTJXILNOEFQNJR-UHFFFAOYSA-N
XLogP3.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-(3,4-dichlorophenyl)-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-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole (CID 2763466) is 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole is ClCc1nnc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is NTJXILNOEFQNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2.
What are the key properties of 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 263.51 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2763466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).