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880361-90-0 | 1,3,4-Oxadiazole-2-methanamine,N-methyl-5-phenyl-
CAS No: 880361-90-0 Catalog No: AG004GFV MDL No:MFCD07186444
Product Description
Catalog Number:
AG004GFV
Chemical Name:
1,3,4-Oxadiazole-2-methanamine,N-methyl-5-phenyl-
CAS Number:
880361-90-0
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD07186444
IUPAC Name:
N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
InChI:
InChI=1S/C10H11N3O/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChI Key:
WVVQCQZLRFXKEZ-UHFFFAOYSA-N
SMILES:
CNCc1nnc(o1)c1ccccc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
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 |
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