(2R,6S)-1-{[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-6-phenyl-2-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine

• ChemBase ID: 549053
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: c1(nc(CN2[C@@H](C=CC[C@H]2CC=C)c2ccccc2)c(o1)C)c1cocc1
• Canonical SMILES: C=CC[C@@H]1CC=C[C@H](N1Cc1nc(oc1C)c1cocc1)c1ccccc1
• InChI: InChI=1S/C23H24N2O2/c1-3-8-20-11-7-12-22(18-9-5-4-6-10-18)25(20)15-21-17(2)27-23(24-21)19-13-14-26-16-19/h3-7,9-10,12-14,16,20,22H,1,8,11,15H2,2H3/t20-,22+/m1/s1
• InChIKey: RFOHAMIKCSVRDA-IRLDBZIGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-1-{[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-6-phenyl-2-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: (2S,6R)-1-{[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-phenyl-6-(prop-2-en-1-yl)-5,6-dihydro-2H-pyridine
• Synonyms: (2R*,6S*)-2-allyl-1-{[2-(3-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-6-phenyl-1,2,3,6-tetrahydropyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3413112
• LogD (pH = 7.4): 4.1057363
• Log P: 4.810853
• Molar Refractivity: 118.5279 cm^3
• Polarizability: 41.72479 Å^3
• Polar Surface Area: 42.41 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: 4.91
• LOG S: -3.69
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 6