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

C16H13Cl2NO2 — CID 25269297

IUPAC5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Cl)c2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H13Cl2NO2/c1-2-16(12-4-3-5-14(18)10-12)20-15(19-21-16)11-6-8-13(17)9-7-11/h3-10H,2H2,1H3
InChIKeyMJQPAJPIOPWKSS-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.96
Rot. Bonds3

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

5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole (PubChem CID 25269297) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
PubChem CID25269297
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Cl)c2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H13Cl2NO2/c1-2-16(12-4-3-5-14(18)10-12)20-15(19-21-16)11-6-8-13(17)9-7-11/h3-10H,2H2,1H3
InChIKeyMJQPAJPIOPWKSS-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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Related Compounds

CID 71561452
CID 71561452
CID 25268216
CID 25268216
CID 25268220
CID 25268220
CID 25268221
CID 25268221
CID 25268581
CID 25268581
CID 25268582
CID 25268582
CID 25268586
CID 25268586
CID 25268942
CID 25268942
CID 25268948
CID 25268948
CID 25269299
CID 25269299
CID 25269300
CID 25269300
CID 25268943
CID 25268943

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole (CID 25269297) is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole is CCC1(c2cccc(Cl)c2)ON=C(c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The InChIKey is MJQPAJPIOPWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-2-16(12-4-3-5-14(18)10-12)20-15(19-21-16)11-6-8-13(17)9-7-11/h3-10H,2H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
5-(3-chlorophenyl)-3-(4-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 5-(3-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole is sourced from PubChem (CID 25269297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).