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681170-13-8 | 1,4-Benzodioxin-2-carboxamide,2,3-dihydro-N-(5-methyl-3-isoxazolyl)-(9CI)
CAS No: 681170-13-8 Catalog No: AG00FJQ1 MDL No:MFCD00113394
Product Description
Catalog Number:
AG00FJQ1
Chemical Name:
1,4-Benzodioxin-2-carboxamide,2,3-dihydro-N-(5-methyl-3-isoxazolyl)-(9CI)
CAS Number:
681170-13-8
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD00113394
IUPAC Name:
N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
InChI:
InChI=1S/C13H12N2O4/c1-8-6-12(15-19-8)14-13(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3,(H,14,15,16)
InChI Key:
ANXIWYJUXIMYKZ-UHFFFAOYSA-N
SMILES:
O=C(C1COc2c(O1)cccc2)Nc1noc(c1)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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