Back to Search
Molecule
(5R)-5-(Azidomethyl)-3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxazolidinone
CAS: 168828-84-0 · C14H16FN5O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 168828-84-0
- Molecular Formula
- C14H16FN5O3
- Molecular Mass
- 321.31 g/mol
Identifiers
CAS Registry Number
168828-84-0
SMILES
[N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChI Key
FQUBFDDPWLBKIZ-NSHDSACASA-N
InChI
InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
Names and Synonyms
- (5R)-5-(Azidomethyl)-3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxazolidinone Systematic Name
- 2-Oxazolidinone, 5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (5R)- Synonym
- 2-Oxazolidinone, 5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (R)- Synonym
- (5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone Synonym
- (R)-5-Azidomethyl-3-[3-fluoro-4-(morpholin-4-yl)phenyl]oxazolidin-2-one Synonym
- (R)-[N-[3-Fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl azide Synonym
- (R)-[3-(3-Fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl azide Synonym
- (5R)-5-(Azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.31 g/mol | CAS Common Chemistry |
| 321.312 g/mol | RDKit | |
| Canonical SMILES | [N-]=[N+]=NCC1OC(=O)N(C2=CC=C(C(F)=C2)N3CCOCC3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FQUBFDDPWLBKIZ-NSHDSACASA-N | CAS Common Chemistry |
| Melting Point | 102.5-103.5 °C | CAS Common Chemistry |
| Name | (5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 90.77000000000002 Ų | RDKit |
| 90.77 Ų | RDKit | |
| 90.06 Ų | chempirical lib | |
| LogP | 2.2978000000000005 | RDKit |
| 2.2978 | RDKit | |
| Molar Refractivity | 81.06000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 321.12371759199993 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.
External Resources
Convert
Quick conversion
MW = 321.31 g/mol. Edit any field — others recompute live.
