4-(1H-imidazol-1-ylmethyl)-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole

• ChemBase ID: 657357
• Molecular Formular: C20H17N3O2
• Molecular Mass: 331.36788
• Monoisotopic Mass: 331.1320768
• SMILES: n1c(c(oc1c1cc(Oc2ccccc2)ccc1)C)Cn1cncc1
• Canonical SMILES: Cc1oc(nc1Cn1cncc1)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C20H17N3O2/c1-15-19(13-23-11-10-21-14-23)22-20(24-15)16-6-5-9-18(12-16)25-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3
• InChIKey: TYDIFJZDJADMMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-1-ylmethyl)-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole
• IUPAC Traditional name: 4-(imidazol-1-ylmethyl)-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole
• Synonyms: 4-(1H-imidazol-1-ylmethyl)-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0243328
• LogD (pH = 7.4): 3.488933
• Log P: 3.550907
• Molar Refractivity: 105.2014 cm^3
• Polarizability: 36.848705 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.3
• LOG S: -5.29
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 5