Home > Compound List > Compound details
110193-49-2 molecular structure
click picture or here to close

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

ChemBase ID: 798734
Molecular Formular: C10H11NO3
Molecular Mass: 193.19924
Monoisotopic Mass: 193.07389322
SMILES and InChIs

SMILES:
O1C(=O)N(C[C@H]1c1cc(ccc1)O)C
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

Cite this record

CBID:798734 http://www.chembase.cn/molecule-798734.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)-5-(3-hydroxyphenyl)-3-methyl-2-oxazolidinone
CAS Number
110193-49-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.358715  H Acceptors
H Donor LogD (pH = 5.5) 1.345445 
LogD (pH = 7.4) 1.3407832  Log P 1.3455049 
Molar Refractivity 50.1776 cm3 Polarizability 19.492891 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle