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Molecule
2-(5-Methyl-2-Phenyl-4-Oxazolyl)Ethanol
CAS: 103788-65-4 · C12H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103788-65-4
- Molecular Formula
- C12H13NO2
- Molecular Mass
- 203.24 g/mol
Identifiers
CAS Registry Number
103788-65-4
SMILES
Cc1oc(-c2ccccc2)nc1CCO
InChI Key
JYWHQBLLIBQGCU-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3
Names and Synonyms
- 2-(5-Methyl-2-Phenyl-4-Oxazolyl)Ethanol Systematic Name
- 4-Oxazoleethanol, 5-methyl-2-phenyl- Synonym
- 5-Methyl-2-phenyl-4-oxazoleethanol Synonym
- 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol Synonym
- 4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazole Synonym
- 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethanol Synonym
- 2-(5-Methyl-2-phenyloxazole-4-yl)ethanol Synonym
- 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol Synonym
- 2-(5-Methyl-2-phenyl-4-oxazole)ethyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.24 g/mol | CAS Common Chemistry |
| 203.24099999999996 g/mol | RDKit | |
| 203.241 g/mol | RDKit | |
| 204.249 g/mol | chempirical lib | |
| Canonical SMILES | OCCC=1N=C(OC1C)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H13NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JYWHQBLLIBQGCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.260000000000005 Ų | RDKit |
| 46.26 Ų | RDKit | |
| 41.82 Ų | chempirical lib | |
| LogP | 2.1848199999999998 | RDKit |
| 2.1848 | RDKit | |
| Molar Refractivity | 57.46580000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 203.094628656 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 = 203.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13NO2.
