4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

• ChemBase ID: 568271
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(C2N(Cc3n(c4ccc(cc4)OC)ccn3)CCC2)c(onc1C)C
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN1CCCC1c1c(C)noc1C
• InChI: InChI=1S/C20H24N4O2/c1-14-20(15(2)26-22-14)18-5-4-11-23(18)13-19-21-10-12-24(19)16-6-8-17(25-3)9-7-16/h6-10,12,18H,4-5,11,13H2,1-3H3
• InChIKey: RTXHDZGCRUEISI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
• IUPAC Traditional name: 4-(1-{[1-(4-methoxyphenyl)imidazol-2-yl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
• Synonyms: 4-(1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}pyrrolidin-2-yl)-3,5-dimethylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9747328
• LogD (pH = 7.4): 2.3209634
• Log P: 2.4788167
• Molar Refractivity: 111.3463 cm^3
• Polarizability: 39.028538 Å^3
• Polar Surface Area: 56.32 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: 2.56
• LOG S: -2.95
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 5