(3S)-N,N-dimethyl-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}pyrrolidin-3-amine

• ChemBase ID: 479497
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: n1c(c(oc1c1cc(Oc2ccccc2)ccc1)C)CN1C[C@H](CC1)N(C)C
• Canonical SMILES: CN([C@H]1CCN(C1)Cc1nc(oc1C)c1cccc(c1)Oc1ccccc1)C
• InChI: InChI=1S/C23H27N3O2/c1-17-22(16-26-13-12-19(15-26)25(2)3)24-23(27-17)18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-11,14,19H,12-13,15-16H2,1-3H3/t19-/m0/s1
• InChIKey: FOJNSMZCXKQYPD-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-N,N-dimethyl-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}pyrrolidin-3-amine
• IUPAC Traditional name: (3S)-N,N-dimethyl-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}pyrrolidin-3-amine
• Synonyms: (3S)-N,N-dimethyl-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21868147
• LogD (pH = 7.4): 1.5625879
• Log P: 3.629471
• Molar Refractivity: 121.8657 cm^3
• Polarizability: 43.91462 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.3
• LOG S: -4.62
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6