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2-(5-Methyl-2-Phenyl-4-Oxazolyl)Ethanol
CAS: 103788-65-4 | C12H13NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
103788-65-4
Molecular Formula:
C12H13NO2
Molecular Mass:
203.24 g/mol
Names and Synonyms:
2-(5-Methyl-2-Phenyl-4-Oxazolyl)Ethanol
4-Oxazoleethanol, 5-methyl-2-phenyl-
5-Methyl-2-phenyl-4-oxazoleethanol
2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazole
2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
2-(5-Methyl-2-phenyloxazole-4-yl)ethanol
2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
2-(5-Methyl-2-phenyl-4-oxazole)ethyl alcohol
Identifiers:
SMILES:
Cc1oc(-c2ccccc2)nc1CCO
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
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 | 203.24 g/mol | CAS Common Chemistry |
| 203.24099999999996 g/mol | RDKit | |
| 203.094628656 g/mol | RDKit | |
| 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 |
| LogP | 2.1848199999999998 | RDKit |
| Molar Refractivity | 57.46580000000004 | RDKit |
