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102029-44-7 molecular structure
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4-benzyl-1,3-oxazolidin-2-one

ChemBase ID: 105069
Molecular Formular: C10H11NO2
Molecular Mass: 177.19984
Monoisotopic Mass: 177.0789786
SMILES and InChIs

SMILES:
O=C1NC(CO1)Cc1ccccc1
Canonical SMILES:
O=C1OCC(N1)Cc1ccccc1
InChI:
InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKey:
OJOFMLDBXPDXLQ-UHFFFAOYSA-N

Cite this record

CBID:105069 http://www.chembase.cn/molecule-105069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzyl-1,3-oxazolidin-2-one
IUPAC Traditional name
4-benzyl-1,3-oxazolidin-2-one
Synonyms
S-[-]-4-[Phenylmethyl]-2-oxazolidinone
S-(-)-4-BENZYL-2-OXAZOLIDINONE
R-(+)-4-BENZYL-2-OXAZOLIDINONE
CAS Number
102029-44-7
90719-32-7
PubChem SID
162092044
PubChem CID
559668

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 559668 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.030782  H Acceptors
H Donor LogD (pH = 5.5) 1.7140553 
LogD (pH = 7.4) 1.7140545  Log P 1.7140553 
Molar Refractivity 48.055 cm3 Polarizability 18.866823 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02158326 external link
(S-[-]-4-[Phenylmethyl]-2-oxazolidinone)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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