2-phenyl-4-{1-[3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}-1,3-oxazole

• ChemBase ID: 830411
• Molecular Formular: C18H17N5O
• Molecular Mass: 319.36048
• Monoisotopic Mass: 319.14331019
• SMILES: c1(nc(oc1)c1ccccc1)c1n(ccn1)CCCn1nccc1
• Canonical SMILES: c1ccc(cc1)c1occ(n1)c1nccn1CCCn1cccn1
• InChI: InChI=1S/C18H17N5O/c1-2-6-15(7-3-1)18-21-16(14-24-18)17-19-9-13-22(17)10-5-12-23-11-4-8-20-23/h1-4,6-9,11,13-14H,5,10,12H2
• InChIKey: OELZKPYTHNRTRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-4-{1-[3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}-1,3-oxazole
• IUPAC Traditional name: 2-phenyl-4-{1-[3-(pyrazol-1-yl)propyl]imidazol-2-yl}-1,3-oxazole
• Synonyms: 2-phenyl-4-{1-[3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6613355
• LogD (pH = 7.4): 2.744088
• Log P: 2.7452748
• Molar Refractivity: 122.3079 cm^3
• Polarizability: 35.450417 Å^3
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -3.34
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 6