(4R,5R)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine

• ChemBase ID: 186086
• Molecular Formular: C19H19NO
• Molecular Mass: 277.36026
• Monoisotopic Mass: 277.14666423
• SMILES: N1(C(O[C@@H]([C@H]1C)c1ccccc1)C#Cc1ccccc1)C
• Canonical SMILES: CN1C(C#Cc2ccccc2)O[C@@H]([C@H]1C)c1ccccc1
• InChI: InChI=1S/C19H19NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,1-2H3/t15-,18?,19+/m1/s1
• InChIKey: YIEKZEKWISFCPM-JNBCYNBSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R,5R)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine
• IUPAC Traditional name: (4R,5R)-3,4-dimethyl-5-phenyl-2-(2-phenylethynyl)-1,3-oxazolidine

Database IDs

• PubChem SID: 164241996
• PubChem CID: 16396465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.627704
• LogD (pH = 7.4): 4.6957393
• Log P: 4.6966796
• Molar Refractivity: 82.7463 cm^3
• Polarizability: 33.244946 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 isomers 3:2
• Classification: Derivatives & analogs of Natural Compounds