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

C16H13Cl2NO2 — CID 25268218

IUPAC3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Cl)c2)ON=C(c2ccccc2Cl)O1
InChIInChI=1S/C16H13Cl2NO2/c1-2-16(11-6-5-7-12(17)10-11)20-15(19-21-16)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3
InChIKeyIRKCXFVYAVDYIC-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.96
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole (PubChem CID 25268218) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole
PubChem CID25268218
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Cl)c2)ON=C(c2ccccc2Cl)O1
InChIInChI=1S/C16H13Cl2NO2/c1-2-16(11-6-5-7-12(17)10-11)20-15(19-21-16)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3
InChIKeyIRKCXFVYAVDYIC-UHFFFAOYSA-N
XLogP4.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.96
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-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole (CID 25268218) is 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole is CCC1(c2cccc(Cl)c2)ON=C(c2ccccc2Cl)O1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The InChIKey is IRKCXFVYAVDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-2-16(11-6-5-7-12(17)10-11)20-15(19-21-16)13-8-3-4-9-14(13)18/h3-10H,2H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
3-(2-chlorophenyl)-5-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole has a molecular weight of 322.19 g/mol, XLogP of 4.96, 3 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-chlorophenyl)-5-ethyl-1,4,2-dioxazole is sourced from PubChem (CID 25268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).