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105639-11-0 | 5-[5-[4-(4,5-DIHYDRO-2-OXAZOLYL)-2-(2-ALLYL)PHENOXY]PENTYL]-3-METHYL-ISOXAZOLE
CAS No: 105639-11-0 Catalog No: AG007DZV MDL No:
Product Description
Catalog Number:
AG007DZV
Chemical Name:
5-[5-[4-(4,5-DIHYDRO-2-OXAZOLYL)-2-(2-ALLYL)PHENOXY]PENTYL]-3-METHYL-ISOXAZOLE
CAS Number:
105639-11-0
Molecular Formula:
C21H26N2O3
Molecular Weight:
354.4427
IUPAC Name:
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C21H26N2O3/c1-3-7-17-15-18(21-22-11-13-25-21)9-10-20(17)24-12-6-4-5-8-19-14-16(2)23-26-19/h3,9-10,14-15H,1,4-8,11-13H2,2H3
InChI Key:
QNFVCRZEOACUMQ-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(cc1C(=C)C)C1=NCCO1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.45g/mol
Monoisotopic Mass:
354.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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