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881-90-3 | 4-Benzylidene-2-methyloxazol-5(4H)-one
CAS No: 881-90-3 Catalog No: AG004CA1 MDL No:MFCD00098977
Product Description
Catalog Number:
AG004CA1
Chemical Name:
4-Benzylidene-2-methyloxazol-5(4H)-one
CAS Number:
881-90-3
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00098977
IUPAC Name:
(4E)-4-benzylidene-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChI Key:
BWQBTJRPSDVWIR-JXMROGBWSA-N
SMILES:
O=C1OC(=N/C/1=C/c1ccccc1)C
EC Number:
212-921-7
NSC Number:
10132
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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