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105639-07-4 | Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy]pentyl]-3-methyl-
CAS No: 105639-07-4 Catalog No: AG0084FC MDL No:
Product Description
Catalog Number:
AG0084FC
Chemical Name:
Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy]pentyl]-3-methyl-
CAS Number:
105639-07-4
Molecular Formula:
C20H26N2O3
Molecular Weight:
342.4320
IUPAC Name:
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethylphenoxy]pentyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C20H26N2O3/c1-3-16-14-17(20-21-10-12-24-20)8-9-19(16)23-11-6-4-5-7-18-13-15(2)22-25-18/h8-9,13-14H,3-7,10-12H2,1-2H3
InChI Key:
SKLOXEUEOSDDIB-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1OCCCCCc1onc(c1)C)C1=NCCO1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.439g/mol
Monoisotopic Mass:
342.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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