3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole

C9H6Cl2N2O2 — CID 19928654

IUPAC3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1OCc1ncon1
InChIInChI=1S/C9H6Cl2N2O2/c10-6-2-1-3-7(11)9(6)14-4-8-12-5-15-13-8/h1-3,5H,4H2
InChIKeyHAPKTHDTZHLHOD-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.96
Rot. Bonds3

About 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole

3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 19928654) has the molecular formula C9H6Cl2N2O2 and a molecular weight of 245.06 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID19928654
Molecular FormulaC9H6Cl2N2O2
Molecular Weight245.06 g/mol
Exact Mass243.98
IUPAC Name3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1OCc1ncon1
InChIInChI=1S/C9H6Cl2N2O2/c10-6-2-1-3-7(11)9(6)14-4-8-12-5-15-13-8/h1-3,5H,4H2
InChIKeyHAPKTHDTZHLHOD-UHFFFAOYSA-N
XLogP2.96
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole (CID 19928654) is 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole is Clc1cccc(Cl)c1OCc1ncon1.
What is the InChIKey of 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is HAPKTHDTZHLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2/c10-6-2-1-3-7(11)9(6)14-4-8-12-5-15-13-8/h1-3,5H,4H2.
What are the key properties of 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole?
3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 245.06 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19928654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).