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

C15H11Cl2NO2 — CID 25268583

IUPAC3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
SMILESCC1(c2ccc(Cl)cc2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H11Cl2NO2/c1-15(11-4-8-13(17)9-5-11)19-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyYMGIYMMZVYSABB-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.57
Rot. Bonds2

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

3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole (PubChem CID 25268583) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
PubChem CID25268583
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole
SMILESCC1(c2ccc(Cl)cc2)ON=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H11Cl2NO2/c1-15(11-4-8-13(17)9-5-11)19-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyYMGIYMMZVYSABB-UHFFFAOYSA-N
XLogP4.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole (CID 25268583) is 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole is CC1(c2ccc(Cl)cc2)ON=C(c2ccc(Cl)cc2)O1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole?
The InChIKey is YMGIYMMZVYSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-15(11-4-8-13(17)9-5-11)19-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3.
What are the key properties of 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole?
3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole has a molecular weight of 308.16 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-5-methyl-1,4,2-dioxazole is sourced from PubChem (CID 25268583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).