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

C15H13NO2 — CID 46193624

IUPAC3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeyVHFURVMNGNYNPP-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.40
Rot. Bonds2

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

3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole (PubChem CID 46193624) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
PubChem CID46193624
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeyVHFURVMNGNYNPP-UHFFFAOYSA-N
XLogP3.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole (CID 46193624) is 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole is Cc1ccc(C2=NOC(c3ccccc3)O2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
The InChIKey is VHFURVMNGNYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10,15H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole?
3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole has a molecular weight of 239.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 46193624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).