4(5H)-Oxazolone,2-(cyclopropylamino)-5-phenyl- supplier

Name
Cyclazodone
EINECS
CAS No. 14461-91-7
Density 1.4 g/cm³
Solubility
Melting Point 139-140 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
Formula C₁₂H₁₂N₂O₂
Boiling Point 334.8 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 156.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolin-4-one,2-(cyclopropylamino)-5-phenyl- (7CI,8CI);2-(Cyclopropylamino)-5-phenyl-2-oxazolin-4-one;Cyclazodone;Cyclopropylpemoline;
PSA 50.69000
LogP 1.21900

Synthetic route

: 91721-39-0
2-chloro-N-cyclopropylcarbamoyl-2-phenyl-acetamide

: 14461-91-7
cyclazodone

Conditions

Conditions	Yield
With sodium ethanolate

4(5H)-Oxazolone,2-(cyclopropylamino)-5-phenyl- Specification

The 4(5H)-Oxazolone,2-(cyclopropylamino)-5-phenyl-, with the CAS registry number 14461-91-7, is also known as 2-(Cyclopropylamino)-5-phenyl-1,3-oxazol-4(5H)-one. This chemical's molecular formula is C₁₂H₁₂N₂O₂ and molecular weight is 216.2359. What's more, its IUPAC name is called 2-(Cyclopropylamino)-5-phenyl-1,3-oxazol-4-one. This chemical is a centrally acting stimulant drug which is related to other drugs such as pemoline and 4-methylaminorex. It is a banned stimulant under the World Anti-Doping Agency prohibited list.

Physical properties about 4(5H)-Oxazolone,2-(cyclopropylamino)-5-phenyl- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5.01; (7)ACD/KOC (pH 5.5): 110.12; (8)ACD/KOC (pH 7.4): 110.31; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 58.54 cm³; (15)Molar Volume: 153.4 cm³; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.4 g/cm³; (18)Flash Point: 156.3 °C; (19)Enthalpy of Vaporization: 57.78 kJ/mol; (20)Boiling Point: 334.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000125 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=C(/OC1c2ccccc2)NC3CC3
(2) InChI: InChI=1/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)
(3) InChIKey: DNRKTAYPGADPGW-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	81mg/kg (81mg/kg)	British Patent Document. Vol. #1005738,
mouse	LD50	oral	80mg/kg (80mg/kg)	Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 262, Pg. 213, 1966.
mouse	LD50	subcutaneous	142mg/kg (142mg/kg)	British Patent Document. Vol. #1005738,

Product Name

Cyclazodone

Synthetic route

4(5H)-Oxazolone,2-(cyclopropylamino)-5-phenyl- Specification

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