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Molecule
Tedizolid
CAS: 856866-72-3 · C17H15FN6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 856866-72-3
- Molecular Formula
- C17H15FN6O3
- Molecular Mass
- 370.34 g/mol
Identifiers
CAS Registry Number
856866-72-3
SMILES
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1
InChI Key
XFALPSLJIHVRKE-GFCCVEGCSA-N
InChI
InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1
Names and Synonyms
- Tedizolid Common Name
- 2-Oxazolidinone, 3-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-, (5R)- Synonym
- (5R)-3-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-2-oxazolidinone Synonym
- DA 7157 Synonym
- TR 700 Synonym
- Tedizolid Synonym
- Sivextro Synonym
- (5R)-3-[3-Fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.34 g/mol | CAS Common Chemistry |
| 370.34400000000005 g/mol | RDKit | |
| 370.344 g/mol | RDKit | |
| 371.352 g/mol | chempirical lib | |
| Canonical SMILES | O=C1OC(CO)CN1C2=CC=C(C(F)=C2)C3=CN=C(C=C3)C=4N=NN(N4)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XFALPSLJIHVRKE-GFCCVEGCSA-N | CAS Common Chemistry |
| Melting Point | 201 °C | CAS Common Chemistry |
| Name | Tedizolid | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 106.26000000000002 Ų | RDKit |
| 106.26 Ų | RDKit | |
| 110.65 Ų | chempirical lib | |
| LogP | 1.3957 | RDKit |
| Molar Refractivity | 92.12380000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 370.11896656000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 370.34 g/mol. Edit any field — others recompute live.
