3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole

C14H8Cl3NO2 — CID 25268216

IUPAC3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
SMILESClc1ccc(C2ON=C(c3ccccc3Cl)O2)cc1Cl
InChIInChI=1S/C14H8Cl3NO2/c15-10-4-2-1-3-9(10)13-18-20-14(19-13)8-5-6-11(16)12(17)7-8/h1-7,14H
InChIKeyYLRYBDHXIZAWTF-UHFFFAOYSA-N
MW328.58 g/mol
LogP5.05
Rot. Bonds2

About 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole

3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole (PubChem CID 25268216) has the molecular formula C14H8Cl3NO2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
PubChem CID25268216
Molecular FormulaC14H8Cl3NO2
Molecular Weight328.58 g/mol
Exact Mass326.96
IUPAC Name3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
SMILESClc1ccc(C2ON=C(c3ccccc3Cl)O2)cc1Cl
InChIInChI=1S/C14H8Cl3NO2/c15-10-4-2-1-3-9(10)13-18-20-14(19-13)8-5-6-11(16)12(17)7-8/h1-7,14H
InChIKeyYLRYBDHXIZAWTF-UHFFFAOYSA-N
XLogP5.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole (CID 25268216) is 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole is Clc1ccc(C2ON=C(c3ccccc3Cl)O2)cc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole?
The InChIKey is YLRYBDHXIZAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO2/c15-10-4-2-1-3-9(10)13-18-20-14(19-13)8-5-6-11(16)12(17)7-8/h1-7,14H.
What are the key properties of 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole?
3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole has a molecular weight of 328.58 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole is sourced from PubChem (CID 25268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).