2-phenyl-4-(1-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}-1H-imidazol-2-yl)-1,3-oxazole

• ChemBase ID: 688524
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(nc(oc1)c1ccccc1)c1n(Cc2cc(no2)C(C)C)ccn1
• Canonical SMILES: CC(c1noc(c1)Cn1ccnc1c1coc(n1)c1ccccc1)C
• InChI: InChI=1S/C19H18N4O2/c1-13(2)16-10-15(25-22-16)11-23-9-8-20-18(23)17-12-24-19(21-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3
• InChIKey: LDYRPZPIFCPCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-4-(1-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}-1H-imidazol-2-yl)-1,3-oxazole
• IUPAC Traditional name: 4-{1-[(3-isopropyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl}-2-phenyl-1,3-oxazole
• Synonyms: 3-isopropyl-5-{[2-(2-phenyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]methyl}isoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.764156
• LogD (pH = 7.4): 3.838591
• Log P: 3.839646
• Molar Refractivity: 114.1751 cm^3
• Polarizability: 36.461243 Å^3
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.62
• LOG S: -3.88
• Polar Surface Area: 69.88 Å^2
• Rotatable Bonds: 5