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Oxaprozin
CAS: 21256-18-8 | C18H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21256-18-8
Molecular Formula:
C18H15NO3
Molecular Mass:
293.32 g/mol
Names and Synonyms:
Oxaprozin
2-Oxazolepropanoic acid, 4,5-diphenyl-
2-Oxazolepropionic acid, 4,5-diphenyl-
4,5-Diphenyl-2-oxazolepropanoic acid
β-(4,5-Diphenyloxazol-2-yl)propionic acid
Oxaprozin
4,5-Diphenyl-2-oxazolepropionic acid
Wy 21743
Daypro
Durapro
Alvo
Duraprost
Oxapro
NSC 310839
Actirin
3-(4,5-Diphenyloxazol-2-yl)propionic acid
Oxoprazine
3-(4,5-Diphenyloxazol-2-yl)propanoic acid
Identifiers:
SMILES:
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChI:
InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
Key Properties
Melting Point
160.5-161.5 °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 | 293.32 g/mol | CAS Common Chemistry |
| 293.32200000000006 g/mol | RDKit | |
| 293.10519334 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC1=NC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=OFPXSFXSNFPTHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5-161.5 °C | CAS Common Chemistry |
| Name | Oxaprozin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 63.33 Ų | RDKit |
| LogP | 4.025800000000003 | RDKit |
| Molar Refractivity | 83.33180000000004 | RDKit |
