(5R)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-one

• ChemBase ID: 171108
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: c1c(cccc1[C@@H]1CN(C(=O)O1)C)O
• Canonical SMILES: Oc1cccc(c1)[C@H]1OC(=O)N(C1)C
• InChI: InChI=1S/C10H11NO3/c1-11-6-9(14-10(11)13)7-3-2-4-8(12)5-7/h2-5,9,12H,6H2,1H3/t9-/m0/s1
• InChIKey: JMKOBHGSFGXCHJ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (5R)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-one
• Synonyms: (R)-3-[5-(N-Methyl-2-oxozolidonyl)]phenol; (R)-5-(3-Hydroxyphenyl)-3-methyl-2-oxazolidinone

Database IDs

• CAS Number: 110193-49-2
• PubChem SID: 164227018
• PubChem CID: 13914251

CALCULATED PROPERTIES

• Acid pKa: 9.358715
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.345445
• LogD (pH = 7.4): 1.3407832
• Log P: 1.3455049
• Molar Refractivity: 50.1776 cm^3
• Polarizability: 19.492891 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Oil