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139394-04-0 | 2(1H)-Pyridinone, 3-(2-benzoxazolylmethoxy)-5-ethyl-6-methyl-
CAS No: 139394-04-0 Catalog No: AG001AWW MDL No:
Product Description
Catalog Number:
AG001AWW
Chemical Name:
2(1H)-Pyridinone, 3-(2-benzoxazolylmethoxy)-5-ethyl-6-methyl-
CAS Number:
139394-04-0
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
3-(1,3-benzoxazol-2-ylmethoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C16H16N2O3/c1-3-11-8-14(16(19)17-10(11)2)20-9-15-18-12-6-4-5-7-13(12)21-15/h4-8H,3,9H2,1-2H3,(H,17,19)
InChI Key:
ZEXDHQKXYJUHQY-UHFFFAOYSA-N
SMILES:
CCc1cc(OCc2nc3c(o2)cccc3)c(=O)[nH]c1C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 4. 3-[2-(Benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one and analogues. | Journal of medicinal chemistry 19930416 |
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