Home > Compound List > Compound details
132836-66-9 molecular structure
click picture or here to close

(4R)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one

ChemBase ID: 92247
Molecular Formular: C12H13NO3
Molecular Mass: 219.23652
Monoisotopic Mass: 219.08954328
SMILES and InChIs

SMILES:
O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)C
Canonical SMILES:
CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChI:
InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKey:
YMVGXIZVSPMNPD-LLVKDONJSA-N

Cite this record

CBID:92247 http://www.chembase.cn/molecule-92247.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
IUPAC Traditional name
(4R)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
Synonyms
(4S)-3-Acetyl-4-benzyl-1,3-oxazolidin-2-one
CAS Number
132836-66-9
MDL Number
MFCD00191701
PubChem SID
162078945
PubChem CID
735930

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8731 external link Add to cart Please log in.
Data Source Data ID
PubChem 735930 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7026637  LogD (pH = 7.4) 1.7026637 
Log P 1.7026637  Molar Refractivity 57.6209 cm3
Polarizability 22.638113 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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