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Molecule
2-(1-Naphthyl)-5-Phenyloxazole
CAS: 846-63-9 · C19H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 846-63-9
- Molecular Formula
- C19H13NO
- Molecular Mass
- 271.32 g/mol
Identifiers
CAS Registry Number
846-63-9
SMILES
c1ccc(-c2cnc(-c3cccc4ccccc34)o2)cc1
InChI Key
WWVFJJKBBZXWFV-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(1-Naphthyl)-5-Phenyloxazole Systematic Name
- Oxazole, 2-(1-naphthalenyl)-5-phenyl- Synonym
- Oxazole, 2-(1-naphthyl)-5-phenyl- Synonym
- 2-(1-Naphthalenyl)-5-phenyloxazole Synonym
- α-Naphthyl-2-phenyl-5-oxazole-1,3 Synonym
- 2-(1-Naphthyl)-5-phenyloxazole Synonym
- 2-(1-Naphthyl)-5-phenyl-1,3-oxazole Synonym
- α-NPO Synonym
- 2-Phenyl-5-α-naphthyl-1,4-oxazole Synonym
- 2-α-Naphthyl-5-phenyloxazole Synonym
- ANPO Synonym
- α-Naphthylphenyloxazole Synonym
- NSC 24857 Synonym
- 2-Naphthalen-1-yl-5-phenyl-1,3-oxazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.32 g/mol | CAS Common Chemistry |
| 271.319 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 |
| 5.1618 | RDKit | |
| Molar Refractivity | 84.88100000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 271.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 271.32 g/mol. Edit any field — others recompute live.
