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105639-12-1 | Ethanone,1-[5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]phenyl]-
CAS No: 105639-12-1 Catalog No: AG007VZA MDL No:
Product Description
Catalog Number:
AG007VZA
Chemical Name:
Ethanone,1-[5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]phenyl]-
CAS Number:
105639-12-1
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone
InChI:
InChI=1S/C20H24N2O4/c1-14-12-17(26-22-14)6-4-3-5-10-24-19-8-7-16(13-18(19)15(2)23)20-21-9-11-25-20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChI Key:
BWQIFGACAIDXBA-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(cc1C(=O)C)C1=NCCO1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Structure-activity studies of 5-[[4-(4,5-dihydro-2-oxazolyl) phenoxy]alkyl]-3-methylisoxazoles: inhibitors of picornavirus uncoating. | Journal of medicinal chemistry 19870201 |
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