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

C16H13BrClNO2 — CID 25269298

IUPAC5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H13BrClNO2/c1-2-16(12-4-3-5-13(17)10-12)20-15(19-21-16)11-6-8-14(18)9-7-11/h3-10H,2H2,1H3
InChIKeyRRQPMAFDMKJSQX-UHFFFAOYSA-N
MW366.64 g/mol
LogP5.07
Rot. Bonds3

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

5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole (PubChem CID 25269298) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
PubChem CID25269298
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Name5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
SMILESCCC1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H13BrClNO2/c1-2-16(12-4-3-5-13(17)10-12)20-15(19-21-16)11-6-8-14(18)9-7-11/h3-10H,2H2,1H3
InChIKeyRRQPMAFDMKJSQX-UHFFFAOYSA-N
XLogP5.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-5-methyl-3-(4-methylphenyl)-1,4,2-dioxazole
CID 46193628
5-(3-Bromophenyl)-3-(2-chlorophenyl)-5-ethyl-1,4,2-dioxazole
CID 25268219
3,5-Bis(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole
CID 25268223
3,5-Bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268583
5-(3-Bromophenyl)-3-(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268584
3-(2-Chlorophenyl)-5-(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268588
5-(3-Bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268589
3-(3-Chlorophenyl)-5-(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268945
5-(3-Bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,4,2-dioxazole
CID 25268946
5-(3-Bromophenyl)-3-(3-chlorophenyl)-5-ethyl-1,4,2-dioxazole
CID 25268947
5-(3-Chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
CID 25269297
3-(4-Bromophenyl)-5-(3-chlorophenyl)-5-(trifluoromethyl)-1,4,2-dioxazole
CID 178047353

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The IUPAC name of 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole (CID 25269298) is 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole is CCC1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
The InChIKey is RRQPMAFDMKJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c1-2-16(12-4-3-5-13(17)10-12)20-15(19-21-16)11-6-8-14(18)9-7-11/h3-10H,2H2,1H3.
What are the key properties of 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole?
5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole has a molecular weight of 366.64 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole is sourced from PubChem (CID 25269298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).