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105639-03-0 | Isoxazole,5-[5-[4-(4,5-dihydro-2-oxazolyl)-3-methylphenoxy]pentyl]-3-methyl-
CAS No: 105639-03-0 Catalog No: AG007DZY MDL No:
Product Description
Catalog Number:
AG007DZY
Chemical Name:
Isoxazole,5-[5-[4-(4,5-dihydro-2-oxazolyl)-3-methylphenoxy]pentyl]-3-methyl-
CAS Number:
105639-03-0
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
IUPAC Name:
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C19H24N2O3/c1-14-12-16(7-8-18(14)19-20-9-11-23-19)22-10-5-3-4-6-17-13-15(2)21-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChI Key:
FGPKIAZDSBSXGE-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(c(c1)C)C1=NCCO1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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 |
| The site of attachment in human rhinovirus 14 for antiviral agents that inhibit uncoating. | Science (New York, N.Y.) 19860919 |
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