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Oxazolidin
CAS: 129-20-4 | C19H20N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
129-20-4
Molecular Formula:
C19H20N2O3
Molecular Mass:
324.38 g/mol
Names and Synonyms:
Oxazolidin
3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-
3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-
4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione
G 27202
4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione
1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione
1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-n-butylpyrazolidine
Metabolite I
Oxazolidin
Oxyphenbutazone
Oxyphenobutazone
Oxyphenylbutazone
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine
Tandearil
Tanderil
Tendearil
p-Hydroxyphenylbutazone
4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine
4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,4-pyrazolidinedione
p-Oxyphenylbutazone
Flogoril
Crovaril
Oxalid
Tandacote
Floghene
Telidal
Flogitolo
Butapirone
Neo-Farmadol
Flamaril
Offitril
Suganril
Romaxin
Ro 04-4410
Rapostan
Visubutina
Frabel
Californit
NSC 526053
Identifiers:
SMILES:
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChI:
InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
Key Properties
Melting Point
96 °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 | 324.38 g/mol | CAS Common Chemistry |
| 324.38000000000005 g/mol | RDKit | |
| 324.14739249999997 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C=2C=CC=CC2)N(C3=CC=C(O)C=C3)C(=O)C1CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HFHZKZSRXITVMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | Oxazolidin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.85 Ų | RDKit |
| LogP | 3.493400000000002 | RDKit |
| Molar Refractivity | 92.53580000000005 | RDKit |
