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Molecule
2,5-Diphenyloxazole
CAS: 92-71-7 · C15H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-71-7
- Molecular Formula
- C15H11NO
- Molecular Mass
- 221.26 g/mol
Identifiers
CAS Registry Number
92-71-7
SMILES
c1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChI Key
CNRNYORZJGVOSY-UHFFFAOYSA-N
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
Names and Synonyms
- 2,5-Diphenyloxazole Synonym
- Oxazole, 2,5-diphenyl- Synonym
- 2,5-Diphenyloxazole Synonym
- 2,5-Diphenyl-1,3-oxazole Synonym
- PPO (scintillator) Synonym
- PPO Synonym
- Tritosol Synonym
- DPO (scintillator) Synonym
- DPO Synonym
- NSC 24856 Synonym
- NSC 49168 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.26 g/mol | CAS Common Chemistry |
| 221.25900000000001 g/mol | RDKit | |
| 221.259 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 |
| 4.0086 | RDKit | |
| Molar Refractivity | 67.37500000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 221.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H11NO.
