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Molecule
(-)-4-Benzyl-2-Oxazolidinone
CAS: 90719-32-7 · C10H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90719-32-7
- Molecular Formula
- C10H11NO2
- Molecular Mass
- 177.20 g/mol
Identifiers
CAS Registry Number
90719-32-7
SMILES
OC1=N[C@@H](Cc2ccccc2)CO1
InChI Key
OJOFMLDBXPDXLQ-VIFPVBQESA-N
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-/m0/s1
Names and Synonyms
- (-)-4-Benzyl-2-Oxazolidinone Synonym
- 2-Oxazolidinone, 4-(phenylmethyl)-, (4S)- Synonym
- 2-Oxazolidinone, 4-(phenylmethyl)-, (S)- Synonym
- (4S)-4-(Phenylmethyl)-2-oxazolidinone Synonym
- (S)-4-Benzyloxazolidin-2-one Synonym
- (S)-4-Phenylmethyl-2-oxazolidinone Synonym
- (S)-(-)-4-Benzyl-2-oxazolidinone Synonym
- 4S-(Phenylmethyl)oxazolidin-2-one Synonym
- (4S)-Benzyloxazolidin-2-one Synonym
- 4S-Benzyloxazolidin-2-one Synonym
- 4-(S)-Benzyl-2-oxazolidinone Synonym
- (S)-4-Benzyloxy-2-azolidinone Synonym
- (-)-4-Benzyl-2-oxazolidinone Synonym
- (4S)-4-Benzyl-1,3-oxazolidin-2-one Synonym
- (4S)-4-(Phenylmethyl)-1,3-oxazolidin-2-one Synonym
- (4S)-4-Benzyloxazolidin-2-one Synonym
- (S)-(-)-4-Benzyl-1,3-oxazolidin-2-one Synonym
- (4S)-(-)-4-(Phenylmethyl)-1,3-oxazolidin-2-one Synonym
- (S)-4-Benzyl-2-oxazolidone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.20 g/mol | CAS Common Chemistry |
| 177.20299999999997 g/mol | RDKit | |
| 177.203 g/mol | RDKit | |
| 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OJOFMLDBXPDXLQ-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 89-90 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | (-)-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 |
| 41.82 Ų | RDKit | |
| LogP | 1.5419 | RDKit |
| Molar Refractivity | 49.949800000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 177.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
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MW = 177.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO2.
