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

C15H13NO3 — CID 590944

IUPAC3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCOc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO3/c1-17-13-9-7-11(8-10-13)14-16-19-15(18-14)12-5-3-2-4-6-12/h2-10,15H,1H3
InChIKeyYJUZMHUNMHOHBA-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.10
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole (PubChem CID 590944) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
PubChem CID590944
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCOc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO3/c1-17-13-9-7-11(8-10-13)14-16-19-15(18-14)12-5-3-2-4-6-12/h2-10,15H,1H3
InChIKeyYJUZMHUNMHOHBA-UHFFFAOYSA-N
XLogP3.10
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole (CID 590944) is 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole is COc1ccc(C2=NOC(c3ccccc3)O2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole?
The InChIKey is YJUZMHUNMHOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-17-13-9-7-11(8-10-13)14-16-19-15(18-14)12-5-3-2-4-6-12/h2-10,15H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole?
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole has a molecular weight of 255.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 590944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).