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74470-78-3 | 2-Oxazolidinone, 5-ethyl-5-methyl-4-methylene-3-phenyl-
CAS No: 74470-78-3 Catalog No: AG005XNY MDL No:
Product Description
Catalog Number:
AG005XNY
Chemical Name:
2-Oxazolidinone, 5-ethyl-5-methyl-4-methylene-3-phenyl-
CAS Number:
74470-78-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
5-ethyl-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H15NO2/c1-4-13(3)10(2)14(12(15)16-13)11-8-6-5-7-9-11/h5-9H,2,4H2,1,3H3
InChI Key:
NIZNHMRPYOZPDM-UHFFFAOYSA-N
SMILES:
CCC1(C)OC(=O)N(C1=C)c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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