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(R)-4-Benzyl-2-Oxazolidinone
CAS: 102029-44-7 | C10H11NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
102029-44-7
Molecular Formula:
C10H11NO2
Molecular Mass:
177.20 g/mol
Names and Synonyms:
(R)-4-Benzyl-2-Oxazolidinone
2-Oxazolidinone, 4-(phenylmethyl)-, (4R)-
2-Oxazolidinone, 4-(phenylmethyl)-, (R)-
(4R)-4-(Phenylmethyl)-2-oxazolidinone
(R)-4-(Phenylmethyl)-2-oxazolidinone
(R)-4-Benzyl-2-oxazolidinone
(R)-(+)-4-Benzyl-2-oxazolidinone
(4R)-4-Benzyl-2-oxazolidinone
(+)-4-Benzyl-2-oxazolidinone
(R)-4-Benzyl-1,3-oxazolidin-2-one
4(R)-Benzyloxazolidin-2-one
(R)-4-Benzyl-2-oxooxazolidine
(R)-(+)-4-Benzyl-2-oxazolidone
(4R)-4-Benzyl-1,3-oxazolidin-2-one
(R)-4-Benzyloxazolidin-2-one
(4R)-4-(Phenylmethyl)-1,3-oxazolidin-2-one
(R)-(+)-4-Benzyl-2-oxazolidinone
(R)-4-Benzyloxazolidin-2-one
(4R)-4-Benzyloxazolidin-2-one
Identifiers:
SMILES:
OC1=N[C@H](Cc2ccccc2)CO1
InChI:
InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
Key Properties
Boiling Point
150-160 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
86 °C @ Solvent: Ethyl acetate, Hexane
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 | 177.20 g/mol | CAS Common Chemistry |
| 177.20299999999997 g/mol | RDKit | |
| 177.078978592 g/mol | RDKit | |
| Boiling Point | 150-160 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCC(N1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OJOFMLDBXPDXLQ-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 86 °C @ Solvent: Ethyl acetate, Hexane | CAS Common Chemistry |
| Name | (R)-4-Benzyl-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | 1.5419 | RDKit |
| Molar Refractivity | 49.949800000000025 | RDKit |
