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

C14H9Cl2NO2 — CID 25268948

IUPAC5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole
SMILESClc1cccc(C2=NOC(c3ccccc3Cl)O2)c1
InChIInChI=1S/C14H9Cl2NO2/c15-10-5-3-4-9(8-10)13-17-19-14(18-13)11-6-1-2-7-12(11)16/h1-8,14H
InChIKeyJPSHJEBBBIPZEN-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.40
Rot. Bonds2

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

5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole (PubChem CID 25268948) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole
PubChem CID25268948
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole
SMILESClc1cccc(C2=NOC(c3ccccc3Cl)O2)c1
InChIInChI=1S/C14H9Cl2NO2/c15-10-5-3-4-9(8-10)13-17-19-14(18-13)11-6-1-2-7-12(11)16/h1-8,14H
InChIKeyJPSHJEBBBIPZEN-UHFFFAOYSA-N
XLogP4.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-1,4,2-dioxazole
CID 71561452
3-(2-Chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
CID 25268216
3,5-Bis-(2-chlorophenyl)-1,4,2-dioxazole
CID 25268220
3-(3-Chlorophenyl)-5-(4-chlorophenyl)-1,4,2-dioxazole
CID 25268221
3,5-Bis(3-chlorophenyl)-1,4,2-dioxazole
CID 25268581
3,5-Bis(4-chlorophenyl)-1,4,2-dioxazole
CID 25268582
3-(2-Chlorophenyl)-5-(4-chlorophenyl)-1,4,2-dioxazole
CID 25268586
3-(2-Chlorophenyl)-5-(3-chlorophenyl)-1,4,2-dioxazole
CID 25268942
5-(2-Chlorophenyl)-3-(4-chlorophenyl)-1,4,2-dioxazole
CID 25269299
5-(3-Chlorophenyl)-3-(4-chlorophenyl)-1,4,2-dioxazole
CID 25269300
3-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
CID 25268943
3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
CID 25268949

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole (CID 25268948) is 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole is Clc1cccc(C2=NOC(c3ccccc3Cl)O2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole?
The InChIKey is JPSHJEBBBIPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-10-5-3-4-9(8-10)13-17-19-14(18-13)11-6-1-2-7-12(11)16/h1-8,14H.
What are the key properties of 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole?
5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole has a molecular weight of 294.14 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole is sourced from PubChem (CID 25268948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).