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113660-29-0 | 2(3H)-Benzoxazolone, 3-[2-oxo-2-(1-piperidinyl)ethyl]-
CAS No: 113660-29-0 Catalog No: AG00098X MDL No:
Product Description
Catalog Number:
AG00098X
Chemical Name:
2(3H)-Benzoxazolone, 3-[2-oxo-2-(1-piperidinyl)ethyl]-
CAS Number:
113660-29-0
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H16N2O3/c17-13(15-8-4-1-5-9-15)10-16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
BPMLWQYAKBSZTJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Cn1c(=O)oc2c1cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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