ChemSpider 2D Image | 2-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-piperazinyl}methyl)-4-[(3-methoxyphenyl)amino]-4-oxobutanoic acid | C22H30N4O5

2-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-piperazinyl}methyl)-4-[(3-methoxyphenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC22H30N4O5
  • Average mass430.497 Da
  • Monoisotopic mass430.221619 Da
  • ChemSpider ID27329678

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinepropanoic acid, 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-α-[2-[(3-methoxyphenyl)amino]-2-oxoethyl]- [ACD/Index Name]
2-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-piperazinyl}methyl)-4-[(3-methoxyphenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
2-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-piperazinyl}methyl)-4-[(3-methoxyphenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 2-({4-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-1-pipérazinyl}méthyl)-4-[(3-méthoxyphényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
1282113-37-4 [RN]
2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-4-[(3-methoxyphenyl)amino]-4-oxobutanoic acid
2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
2-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-1-ylmethyl]-N-(3-methoxy-phenyl)-succinamic acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 685.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 368.6±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 115.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): -1.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 108 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 342.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement