Piperazine, 1-(4,5-diphenyl-2-oxazolyl)-4-methyl- supplier

Name
1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methyl-piperazine
EINECS
CAS No. 20503-88-2
Article Data1
CAS DataBase
Density 1.143 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₁N₃O
Boiling Point 451.8 °C at 760 mmHg
Molecular Weight 319.406
Flash Point 227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4,5-Diphenyl-1,3-oxazol-2-yl)-4-methylpiperazine;
PSA 32.51000
LogP 3.76330

Piperazine, 1-(4,5-diphenyl-2-oxazolyl)-4-methyl- Specification

The Piperazine, 1-(4,5-diphenyl-2-oxazolyl)-4-methyl-, with the CAS registry number 20503-88-2, is also known as 1-(4,5-Diphenyl-1,3-oxazol-2-yl)-4-methylpiperazine. This chemical's molecular formula is C₂₀H₂₁N₃O and molecular weight is 319.4002. What's more, its IUPAC name is called 2-(4-Methylpiperazin-1-yl)-4,5-diphenyl-1,3-oxazole. The classification code is Drug / Therapeutic Agent.

Physical properties about Piperazine, 1-(4,5-diphenyl-2-oxazolyl)-4-methyl- are: (1) ACD/LogP: 2.67; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.47; (4) ACD/LogD (pH 7.4): 2.62; (5) ACD/BCF (pH 5.5): 4; (6) ACD/BCF (pH 7.4): 55.99; (7) ACD/KOC (pH 5.5): 42.96; (8) ACD/KOC (pH 7.4): 601.41; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 32.51 Å²; (13) Index of Refraction: 1.59; (14) Molar Refractivity: 94.3 cm³; (15) Molar Volume: 279.3 cm³; (16) Surface Tension: 44.6 dyne/cm; (17) Density: 1.143 g/cm³; (18)Flash Point: 227 °C; (19) Enthalpy of Vaporization: 71.09 kJ/mol; (20) Boiling Point: 451.8 °C at 760 mmHg; (21) Vapour Pressure: 2.36E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(c(oc1N2CCN(C)CC2)c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C20H21N3O/c1-22-12-14-23(15-13-22)20-21-18(16-8-4-2-5-9-16)19(24-20)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
(3) InChIKey: QAYGLHSZAFDOJZ-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	850mg/kg (850mg/kg)		Journal of Medicinal Chemistry. Vol. 11, Pg. 1092, 1968

Product Name

1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methyl-piperazine

Piperazine, 1-(4,5-diphenyl-2-oxazolyl)-4-methyl- Specification

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