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Home Carbonyls 2-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine

2-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine

CAS No.:
874622-81-8
Catalog Number:
AG019OSB
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
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Product Description
Catalog Number:
AG019OSB
Chemical Name:
2-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine
CAS Number:
874622-81-8
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD07366465
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazin-2-yl(morpholin-4-yl)methanone
InChI:
InChI=1S/C13H16N2O3/c16-13(15-5-7-17-8-6-15)12-9-14-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2
InChI Key:
VOOLCSDQKDNYCB-UHFFFAOYSA-N
SMILES:
O=C(C1CNc2c(O1)cccc2)N1CCOCC1
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties