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51784-03-3 | 2-PIPERIDIN-4-YL-BENZOOXAZOLE
CAS No: 51784-03-3 Catalog No: AG00D8EG MDL No:MFCD01475844
Product Description
Catalog Number:
AG00D8EG
Chemical Name:
2-PIPERIDIN-4-YL-BENZOOXAZOLE
CAS Number:
51784-03-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD01475844
IUPAC Name:
2-piperidin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChI Key:
YHVZEPIEDXIJJT-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1nc2c(o1)cccc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^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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