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2,5-Diphenyloxazole
CAS: 92-71-7 | C15H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-71-7
Molecular Formula:
C15H11NO
Molecular Mass:
221.26 g/mol
Names and Synonyms:
2,5-Diphenyloxazole
Oxazole, 2,5-diphenyl-
2,5-Diphenyloxazole
2,5-Diphenyl-1,3-oxazole
PPO (scintillator)
PPO
Tritosol
DPO (scintillator)
DPO
NSC 24856
NSC 49168
Identifiers:
SMILES:
c1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChI:
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
Key Properties
Boiling Point
360 °C
CAS Common Chemistry
Melting Point
74 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.26 g/mol | CAS Common Chemistry |
| 221.25900000000001 g/mol | RDKit | |
| 221.084063972 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,5-Diphenyloxazole | CAS Common Chemistry |
| Boiling Point | 360 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=C(OC1C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=CNRNYORZJGVOSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74 °C | CAS Common Chemistry |
| Name | 2,5-Diphenyloxazole | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 26.03 Ų | RDKit |
| LogP | 4.008600000000002 | RDKit |
| Molar Refractivity | 67.37500000000003 | RDKit |
