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168828-84-0 molecular structure
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(5R)-5-(azidomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

ChemBase ID: 165431
Molecular Formular: C14H16FN5O3
Molecular Mass: 321.3069432
Monoisotopic Mass: 321.12371762
SMILES and InChIs

SMILES:
O1CCN(CC1)c1c(cc(cc1)N1C[C@@H](OC1=O)CN=[N+]=[N-])F
Canonical SMILES:
[N-]=[N+]=NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
InChI:
InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
InChIKey:
FQUBFDDPWLBKIZ-NSHDSACASA-N

Cite this record

CBID:165431 http://www.chembase.cn/molecule-165431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
IUPAC Traditional name
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
Synonyms
(5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
Deacetamide Linezolid Azide
CAS Number
168828-84-0
PubChem SID
162259564
PubChem CID
10519785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D195600 external link Add to cart
PubChem 10519785 external link
Data Source Data ID Price
TRC
D195600 external link Add to cart Please log in.
Data Source Data ID
PubChem 10519785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.802187  H Acceptors
H Donor LogD (pH = 5.5) 1.6309975 
LogD (pH = 7.4) 1.6309977  Log P 1.7450433 
Molar Refractivity 79.666 cm3 Polarizability 29.441753 Å3
Polar Surface Area 71.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D195600 external link
An impurity of Linezolid (L466500), as antimycobacterial agent.

REFERENCES

REFERENCES

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  • • Sato, K., et al.: Eur. J. Pharmacol., 347, 231 (1998)
  • • Maignan, S., et al.: J. Med. Chem., 43, 3226 (1998)
  • • Tokuyama, R., et al.: Chem. Pharm. Bull., 49, 353 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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