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Famoxadone
CAS: 131807-57-3 | C22H18N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131807-57-3
Molecular Formula:
C22H18N2O4
Molecular Mass:
374.40 g/mol
Names and Synonyms:
Famoxadone
2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-
5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione
DPX-JE 874
Famoxadone
Famoxate
Identifiers:
SMILES:
CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O
InChI:
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
Key Properties
Melting Point
141 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.40 g/mol | CAS Common Chemistry |
| 374.3960000000001 g/mol | RDKit | |
| 374.126657056 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Famoxadone | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(C2=CC=C(OC=3C=CC=CC3)C=C2)(C(=O)N1NC=4C=CC=CC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PCCSBWNGDMYFCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141 °C | CAS Common Chemistry |
| Name | Famoxadone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 67.87 Ų | RDKit |
| LogP | 4.700000000000003 | RDKit |
| Molar Refractivity | 103.70170000000003 | RDKit |
