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Home> Encyclopedia > Hot Product Listed D   > Disoxaril
87495-31-6 structure

Disoxaril

Iupac Name:5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
CAS No.:87495-31-6
Molecular Weight:342.439
Molecular Formula:C20H26N2O3 (isomer)
Names and Identifiers
Synonyms

3-methyl-5-(7-(p-2-oxazolin-2-ylphenoxy)heptyl)isoxazole 3-Methyl-5-[7-[4-(2-oxazolin-2-yl)phenoxy]heptyl]isoxazole 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole 5-[7-[4-(4,5-Dihydrooxazol-2-yl)phenoxy]heptyl]-3-methylisoxazole 5-[7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole 5-{7-[4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole AC1L1JNB AKOS028110949 brn 3626820 C06496 chebi:3846 CHEMBL283639 compound iv D03874 DB08726 disoxaril (usan/inn) disoxaril [usan:inn] disoxarilo disoxarilo [spanish] disoxarilum disoxarilum [latin] DTXSID70236354 FKLJPTJMIBLJAV-UHFFFAOYSA-N FX8Q9PI4VP isoxazole, 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl- isoxazole, 5-[7-[4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methyl- isoxazole,5-[7-[4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methyl- LS-86668 SCHEMBL147146 unii-fx8q9pi4vp win 51711 win-51711

Inchi
InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChkey
FKLJPTJMIBLJAV-UHFFFAOYSA-N
Canonical Smiles
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NCCO3
Properties
Density
1.15
Boiling Point
522.1°C at 760 mmHg
Refractive Index
1.568
Flash Point
269.6°C
Computational chemical data
  • Molecular Weight:342.439g/mol
  • Molecular Formula:C20H26N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:342.194
  • Monoisotopic Mass:342.194
  • Complexity:408
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:56.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAAAAABwAAAHgAEAAAADAzhngYyhpIQBACp A6RyRgCCCAAkIgAomCE2bNoOJrqEsZqDOaDmwBkI6UeY6KyOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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