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Home > Aldehydes > 105639-13-2
105639-13-2 | Benzaldehyde,5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-
CAS No: 105639-13-2 Catalog No: AG0084FA MDL No:
Product Description
Catalog Number:
AG0084FA
Chemical Name:
Benzaldehyde,5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-
CAS Number:
105639-13-2
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
IUPAC Name:
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzaldehyde
InChI:
InChI=1S/C19H22N2O4/c1-14-11-17(25-21-14)5-3-2-4-9-23-18-7-6-15(12-16(18)13-22)19-20-8-10-24-19/h6-7,11-13H,2-5,8-10H2,1H3
InChI Key:
YBGQCIYWZSXFLF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCCCCCc1onc(c1)C)C1=NCCO1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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