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

C9H5Cl3N2O — CID 28941965

IUPAC3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole
SMILESClCc1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H5Cl3N2O/c10-4-7-13-9(15-14-7)5-2-1-3-6(11)8(5)12/h1-3H,4H2
InChIKeyRYTCZGKVPLJNMI-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.78
Rot. Bonds2

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

3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 28941965) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID28941965
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole
SMILESClCc1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H5Cl3N2O/c10-4-7-13-9(15-14-7)5-2-1-3-6(11)8(5)12/h1-3H,4H2
InChIKeyRYTCZGKVPLJNMI-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole (CID 28941965) is 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole is ClCc1noc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is RYTCZGKVPLJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c10-4-7-13-9(15-14-7)5-2-1-3-6(11)8(5)12/h1-3H,4H2.
What are the key properties of 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-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 3-(chloromethyl)-5-(2,3-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 28941965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).