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152305-23-2 molecular structure
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(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

ChemBase ID: 798748
Molecular Formular: C10H12N2O2
Molecular Mass: 192.21448
Monoisotopic Mass: 192.08987763
SMILES and InChIs

SMILES:
O1C(=O)N[C@H](C1)Cc1ccc(cc1)N
Canonical SMILES:
O=C1OC[C@@H](N1)Cc1ccc(cc1)N
InChI:
InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
InChIKey:
WNAVSKJKDPLWBD-VIFPVBQESA-N

Cite this record

CBID:798748 http://www.chembase.cn/molecule-798748.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
IUPAC Traditional name
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
Synonyms
(s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone
CAS Number
152305-23-2

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.100764  H Acceptors
H Donor LogD (pH = 5.5) 0.8593304 
LogD (pH = 7.4) 0.884794  Log P 0.8851294 
Molar Refractivity 52.7554 cm3 Polarizability 20.016994 Å3
Polar Surface Area 64.35 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

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PATENTS

PATENTS

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INTERNET

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