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Molecule
Linezolid
CAS: 165800-03-3 · C16H20FN3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 165800-03-3
- Molecular Formula
- C16H20FN3O4
- Molecular Mass
- 337.35 g/mol
Identifiers
CAS Registry Number
165800-03-3
SMILES
CC(O)=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChI Key
TYZROVQLWOKYKF-ZDUSSCGKSA-N
InChI
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
Names and Synonyms
- Linezolid Common Name
- Acetamide, N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]- Synonym
- Acetamide, N-[[3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-, (S)- Synonym
- N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide Synonym
- U 100766 Synonym
- Linezolid Synonym
- PNU 100766 Synonym
- Zyvox Synonym
- Zyvoxid Synonym
- N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide Synonym
- Linox Synonym
- Linospan Synonym
- (S)-Linezolid Synonym
- Lizolid Synonym
- Lizoforce Synonym
- Averozolid Synonym
- Zyrox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.35 g/mol | CAS Common Chemistry |
| 337.35100000000006 g/mol | RDKit | |
| 337.351 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CNC(=O)C)CN1C2=CC=C(C(F)=C2)N3CCOCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=TYZROVQLWOKYKF-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 73-76 °C | CAS Common Chemistry |
| Name | Linezolid | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| 74.14 Ų | chempirical lib | |
| LogP | 1.9639 | RDKit |
| 2.13 | chempirical lib | |
| Molar Refractivity | 87.65180000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 337.1437843399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 337.35 g/mol. Edit any field — others recompute live.
