5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole

C16H15NO2 — CID 46193627

IUPAC5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C16H15NO2/c1-12-8-10-13(11-9-12)15-17-19-16(2,18-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyAAMNBWCFPCTTET-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.58
Rot. Bonds2

About 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole

5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole (PubChem CID 46193627) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
PubChem CID46193627
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C16H15NO2/c1-12-8-10-13(11-9-12)15-17-19-16(2,18-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyAAMNBWCFPCTTET-UHFFFAOYSA-N
XLogP3.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole (CID 46193627) is 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole is Cc1ccc(C2=NOC(C)(c3ccccc3)O2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The InChIKey is AAMNBWCFPCTTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-8-10-13(11-9-12)15-17-19-16(2,18-15)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole has a molecular weight of 253.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 46193627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).