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(5R)-5-(Azidomethyl)-3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxazolidinone
CAS: 168828-84-0 | C14H16FN5O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
168828-84-0
Molecular Formula:
C14H16FN5O3
Molecular Mass:
321.31 g/mol
Names and Synonyms:
(5R)-5-(Azidomethyl)-3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxazolidinone
2-Oxazolidinone, 5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (5R)-
2-Oxazolidinone, 5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (R)-
(5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
(R)-5-Azidomethyl-3-[3-fluoro-4-(morpholin-4-yl)phenyl]oxazolidin-2-one
(R)-[N-[3-Fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl azide
(R)-[3-(3-Fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl azide
(5R)-5-(Azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
Identifiers:
SMILES:
[N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
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
Key Properties
Melting Point
102.5-103.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 321.31 g/mol | CAS Common Chemistry |
| 321.312 g/mol | RDKit | |
| 321.12371759199993 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 |
| LogP | 2.2978000000000005 | RDKit |
| Molar Refractivity | 81.06000000000003 | RDKit |
