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957480-20-5 | 3-Phenyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CAS No: 957480-20-5 Catalog No: AG00IJFM MDL No:
Product Description
Catalog Number:
AG00IJFM
Chemical Name:
3-Phenyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CAS Number:
957480-20-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
3-phenyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
InChI:
InChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12/h1-5,13H,6-8H2
InChI Key:
FHEAXPKZNVSNLJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc2c1CNCC2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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