5-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-3-ethyl-4,5-dihydro-1,2-oxazole

• ChemBase ID: 471099
• Molecular Formular: C22H27N5O
• Molecular Mass: 377.48268
• Monoisotopic Mass: 377.22156051
• SMILES: c1(n(cnc1c1ccccc1)CC1ON=C(C1)CC)CCn1nc(cc1C)C
• Canonical SMILES: CCC1=NOC(C1)Cn1cnc(c1CCn1nc(cc1C)C)c1ccccc1
• InChI: InChI=1S/C22H27N5O/c1-4-19-13-20(28-25-19)14-26-15-23-22(18-8-6-5-7-9-18)21(26)10-11-27-17(3)12-16(2)24-27/h5-9,12,15,20H,4,10-11,13-14H2,1-3H3
• InChIKey: HOQFBELBTNMJSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-3-ethyl-4,5-dihydro-1,2-oxazole
• IUPAC Traditional name: 5-({5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylimidazol-1-yl}methyl)-3-ethyl-4,5-dihydro-1,2-oxazole
• Synonyms: 5-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-3-ethyl-4,5-dihydroisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.048941
• LogD (pH = 7.4): 3.5785506
• Log P: 3.5955932
• Molar Refractivity: 121.641 cm^3
• Polarizability: 43.21055 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.71
• LOG S: -4.27
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 7