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84145-89-1 molecular structure
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(5R)-3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-[(methylamino)methyl]-1,3-oxazolidin-2-one

ChemBase ID: 125701
Molecular Formular: C18H19ClN2O3
Molecular Mass: 346.80806
Monoisotopic Mass: 346.10842016
SMILES and InChIs

SMILES:
Clc1cccc(c1)COc1ccc(N2C(=O)O[C@H](CNC)C2)cc1
Canonical SMILES:
CNC[C@@H]1CN(C(=O)O1)c1ccc(cc1)OCc1cccc(c1)Cl
InChI:
InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3/t17-/m1/s1
InChIKey:
KYXSTSXVEXKFJI-QGZVFWFLSA-N

Cite this record

CBID:125701 http://www.chembase.cn/molecule-125701.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R)-3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-[(methylamino)methyl]-1,3-oxazolidin-2-one
IUPAC Traditional name
almoxatone
Synonyms
Almoxatone
CAS Number
84145-89-1
PubChem SID
162220051
PubChem CID
172287
Chemspider ID
150582
Unique Ingredient Identifier
85V47MCE4Z
Wikipedia Title
Almoxatone

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 1.4312011  Log P 3.3889987 
Molar Refractivity 91.9667 cm3 Polarizability 36.19935 Å3
Polar Surface Area 50.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.23759966 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Legal Status
Uncontrolled expand Show data source

DETAILS

DETAILS

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REFERENCES

REFERENCES

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PATENTS

PATENTS

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