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30315-49-2

30315-49-2 | 5-Oxazolidinemethanol, 3-(1,1-dimethylethyl)-2-phenyl-

CAS No: 30315-49-2 Catalog No: AG002ZOM MDL No:

Product Description

Catalog Number:
AG002ZOM
Chemical Name:
5-Oxazolidinemethanol, 3-(1,1-dimethylethyl)-2-phenyl-
CAS Number:
30315-49-2
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
(3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl)methanol
InChI:
InChI=1S/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3
InChI Key:
JERBWURCWWHQBK-UHFFFAOYSA-N
SMILES:
OCC1OC(N(C1)C(C)(C)C)c1ccccc1
EC Number:
250-127-2

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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