3,5-diphenyl-1,4,2-dioxazole

C14H11NO2 — CID 577063

IUPAC3,5-diphenyl-1,4,2-dioxazole
SMILESc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C14H11NO2/c1-3-7-11(8-4-1)13-15-17-14(16-13)12-9-5-2-6-10-12/h1-10,14H
InChIKeyNSICGLKWGMZESG-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.09
Rot. Bonds2

About 3,5-diphenyl-1,4,2-dioxazole

3,5-diphenyl-1,4,2-dioxazole (PubChem CID 577063) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3,5-diphenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3,5-diphenyl-1,4,2-dioxazole
PubChem CID577063
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3,5-diphenyl-1,4,2-dioxazole
SMILESc1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C14H11NO2/c1-3-7-11(8-4-1)13-15-17-14(16-13)12-9-5-2-6-10-12/h1-10,14H
InChIKeyNSICGLKWGMZESG-UHFFFAOYSA-N
XLogP3.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-1,4,2-dioxazole
CID 71561452
3,5-Bis-(2-chlorophenyl)-1,4,2-dioxazole
CID 25268220
3-(3-Chlorophenyl)-5-(4-chlorophenyl)-1,4,2-dioxazole
CID 25268221
3,5-Bis(3-chlorophenyl)-1,4,2-dioxazole
CID 25268581
3,5-Bis(4-chlorophenyl)-1,4,2-dioxazole
CID 25268582
3-(2-Chlorophenyl)-5-(4-chlorophenyl)-1,4,2-dioxazole
CID 25268586
3-(2-Chlorophenyl)-5-(3-chlorophenyl)-1,4,2-dioxazole
CID 25268942
5-(2-Chlorophenyl)-3-(3-chlorophenyl)-1,4,2-dioxazole
CID 25268948
5-(2-Chlorophenyl)-3-(4-chlorophenyl)-1,4,2-dioxazole
CID 25269299
5-(3-Chlorophenyl)-3-(4-chlorophenyl)-1,4,2-dioxazole
CID 25269300
5-Benzyl-3-(2-fluorophenyl)-1,4,2-dioxazole
CID 71561451
5-(4-Ethylphenyl)-3-[4-[5-(4-ethylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole
CID 44516436

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,4,2-dioxazole?
The IUPAC name of 3,5-diphenyl-1,4,2-dioxazole (CID 577063) is 3,5-diphenyl-1,4,2-dioxazole.
What is the SMILES notation for 3,5-diphenyl-1,4,2-dioxazole?
The canonical SMILES for 3,5-diphenyl-1,4,2-dioxazole is c1ccc(C2=NOC(c3ccccc3)O2)cc1.
What is the InChIKey of 3,5-diphenyl-1,4,2-dioxazole?
The InChIKey is NSICGLKWGMZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-3-7-11(8-4-1)13-15-17-14(16-13)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 3,5-diphenyl-1,4,2-dioxazole?
3,5-diphenyl-1,4,2-dioxazole has a molecular weight of 225.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,4,2-dioxazole is sourced from PubChem (CID 577063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).