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19776-98-8 | 2-Benzoxazolamine, N-methyl-
CAS No: 19776-98-8 Catalog No: AG002AZU MDL No:MFCD00613415
Product Description
Catalog Number:
AG002AZU
Chemical Name:
2-Benzoxazolamine, N-methyl-
CAS Number:
19776-98-8
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD00613415
IUPAC Name:
N-methyl-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C8H8N2O/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChI Key:
RNDXNZLSLYKBAX-UHFFFAOYSA-N
SMILES:
CNc1nc2c(o1)cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
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 |
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