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Oxadixyl
CAS: 77732-09-3 | C14H18N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
77732-09-3
Molecular Formula:
C14H18N2O4
Molecular Mass:
278.31 g/mol
Names and Synonyms:
Oxadixyl
Acetamide, N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)-
SAN 371
N-(2,6-Dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamide
SAN 371F
Sandofan
Oxadixyl
N-(2-Methoxyacetyl)-N-(2,6-xylyl)-3-amino-1,3-oxazolidin-2-one
M 10797
Identifiers:
SMILES:
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
InChI:
InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
Key Properties
Melting Point
104 °C
CAS Common Chemistry
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 | 278.31 g/mol | CAS Common Chemistry |
| 278.308 g/mol | RDKit | |
| 278.126657056 g/mol | RDKit | |
| Canonical SMILES | O=C1OCCN1N(C(=O)COC)C=2C(=CC=CC2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UWVQIROCRJWDKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Oxadixyl | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.080000000000005 Ų | RDKit |
| LogP | 1.6500400000000004 | RDKit |
| Molar Refractivity | 73.33200000000004 | RDKit |
