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840-57-3 | Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-
CAS No: 840-57-3 Catalog No: AG0050ET MDL No:
Product Description
Catalog Number:
AG0050ET
Chemical Name:
Benzenamine, 4-(2-benzoxazolyl)-N,N-dimethyl-
CAS Number:
840-57-3
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
4-(1,3-benzoxazol-2-yl)-N,N-dimethylaniline
InChI:
InChI=1S/C15H14N2O/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
InChI Key:
NLWWHMRHFRTAII-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nc2c(o1)cccc2)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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