Disoxaril
CAS No.:87495-31-6
Synonyms:
Compound IV
DISOXARIL
Disoxarilum [Latin]
Disoxarilo [Spanish]
Disoxaril (USAN)
Disoxaril [USAN:INN]
WIN 51711
Win-51711
AIDS113666
C20H26N2O3
Structure:
Properties Computed from Structure:
Molecular Weight 342.43204 [g/mol]
Molecular Formula C20H26N2O3
XLogP 4.8
H-Bond Donor 0
H-Bond Acceptor 5
Rotatable Bond Count 10
Exact Mass 342.194343
MonoIsotopic Mass 342.194343
Topological Polar Surface Area 56.9
Heavy Atom Count 25
Formal Charge 0
Complexity 408
Isotope Atom Count 0
Defined Atom StereoCenter Count 0
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure:
IUPAC Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,
2-oxazole
Canonical SMILES: CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI: InChI=1/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
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