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2-Oxazolidone
CAS: 497-25-6 | C3H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
497-25-6
Molecular Formula:
C3H5NO2
Molecular Mass:
87.08 g/mol
Names and Synonyms:
2-Oxazolidone
2-Oxazolidinone
Carbamic acid, (2-hydroxyethyl)-, γ-lactone
2-Oxazolidone
1,3-Oxazolidin-2-one
2-Oxotetrahydro-1,3-oxazole
NSC 35382
NSC 38240
2-Oxo-1,3-oxazolidine
Identifiers:
SMILES:
OC1=NCCO1
InChI:
InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
Key Properties
Boiling Point
152 °C @ Press: 0.4 Torr
CAS Common Chemistry
Melting Point
87-89 °C @ Solvent: Chloroform
CAS Common Chemistry
Density
1.50 g/cm³
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 | 87.08 g/mol | CAS Common Chemistry |
| 87.078 g/mol | RDKit | |
| 87.0320284 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.50 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Oxazolidone | CAS Common Chemistry |
| Boiling Point | 152 °C @ Press: 0.4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=IZXIZTKNFFYFOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-89 °C @ Solvent: Chloroform | CAS Common Chemistry |
| Name | 2-Oxazolidinone | CAS Common Chemistry |
| 2-Oxazolidone | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | -0.06940000000000013 | RDKit |
| Molar Refractivity | 20.882799999999996 | RDKit |
