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2-(1-Naphthyl)-5-Phenyloxazole
CAS: 846-63-9 | C19H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
846-63-9
Molecular Formula:
C19H13NO
Molecular Mass:
271.32 g/mol
Names and Synonyms:
2-(1-Naphthyl)-5-Phenyloxazole
Oxazole, 2-(1-naphthalenyl)-5-phenyl-
Oxazole, 2-(1-naphthyl)-5-phenyl-
2-(1-Naphthalenyl)-5-phenyloxazole
α-Naphthyl-2-phenyl-5-oxazole-1,3
2-(1-Naphthyl)-5-phenyloxazole
2-(1-Naphthyl)-5-phenyl-1,3-oxazole
α-NPO
2-Phenyl-5-α-naphthyl-1,4-oxazole
2-α-Naphthyl-5-phenyloxazole
ANPO
α-Naphthylphenyloxazole
NSC 24857
2-Naphthalen-1-yl-5-phenyl-1,3-oxazole
Identifiers:
SMILES:
c1ccc(-c2cnc(-c3cccc4ccccc34)o2)cc1
InChI:
InChI=1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
Key Properties
Melting Point
104-106 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.32 g/mol | CAS Common Chemistry |
| 271.319 g/mol | RDKit | |
| 271.099714036 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(OC1C=2C=CC=C3C=CC=CC32)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H | CAS Common Chemistry |
| InChI Key | InChIKey=WWVFJJKBBZXWFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104-106 °C | CAS Common Chemistry |
| Name | 2-(1-Naphthyl)-5-phenyloxazole | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 26.03 Ų | RDKit |
| LogP | 5.161800000000003 | RDKit |
| Molar Refractivity | 84.88100000000003 | RDKit |
