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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 Weight: 324.38000000000005 g/mol

Names and Synonyms:

Oxazolidin
4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine
p-Hydroxyphenylbutazone
Tendearil
Tanderil
Tandearil
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine
Oxyphenylbutazone
Oxyphenobutazone
Oxyphenbutazone
Oxazolidin
Metabolite I
1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-n-butylpyrazolidine
1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione
4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione
G 27202
4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione
3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-
3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-
NSC 526053
Californit
Frabel
Visubutina
Rapostan
Ro 04-4410
Romaxin
Suganril
Offitril
Flamaril
Neo-Farmadol
Butapirone
Flogitolo
Telidal
Floghene
Tandacote
Oxalid
Crovaril
Flogoril
p-Oxyphenylbutazone
4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,4-pyrazolidinedione
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine

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

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 324.38 g/mol Legacy Database
cas-canonical-smile O=C1N(C=2C=CC=CC2)N(C3=CC=C(O)C=C3)C(=O)C1CCCC None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=HFHZKZSRXITVMK-UHFFFAOYSA-N None Legacy Database
cas-melting-point 96 °C None Legacy Database
cas-name Oxazolidin None Legacy Database
LogP 3.493400000000002 RDKit

Molecular

Property Value Source
Molecular Weight 324.38000000000005 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 324.14739249999997 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 24 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 5 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 60.85 Ų RDKit

Molar

Property Value Source
Molar Refractivity 92.53580000000005 RDKit

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