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

C15H11BrClNO2 — CID 25268589

IUPAC5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole
SMILESCC1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1
InChIInChI=1S/C15H11BrClNO2/c1-15(10-5-4-6-11(16)9-10)19-14(18-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3
InChIKeyNLLIEHXGJJLHDT-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.68
Rot. Bonds2

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

5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole (PubChem CID 25268589) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole
PubChem CID25268589
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC Name5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole
SMILESCC1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1
InChIInChI=1S/C15H11BrClNO2/c1-15(10-5-4-6-11(16)9-10)19-14(18-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3
InChIKeyNLLIEHXGJJLHDT-UHFFFAOYSA-N
XLogP4.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole (CID 25268589) is 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole is CC1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1.
What is the InChIKey of 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The InChIKey is NLLIEHXGJJLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c1-15(10-5-4-6-11(16)9-10)19-14(18-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3.
What are the key properties of 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole?
5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole has a molecular weight of 352.62 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-1,4,2-dioxazole is sourced from PubChem (CID 25268589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).