2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Phenol ethers

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 4.46 ALOGPS
logS -4.1 ALOGPS
Water Solubility 2.59e-02 g/l ALOGPS
logP 3.66 ChemAxon
IUPAC Name 4-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-2-methyl-1,3-oxazole ChemAxon
Traditional IUPAC Name 4-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-2-methyl-1,3-oxazole ChemAxon
Molecular Weight 326.3896 ChemAxon
Monoisotopic Weight 326.16304258 ChemAxon
SMILES CC1=NC(=CO1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1 ChemAxon
Molecular Formula C19H22N2O3 ChemAxon
InChI InChI=1S/C19H22N2O3/c1-12-8-16(18-11-23-15(4)20-18)9-13(2)19(12)22-7-5-6-17-10-14(3)21-24-17/h8-11H,5-7H2,1-4H3 ChemAxon
InChIKey InChIKey=SLPKYEWAKMNCPT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 61.29 ChemAxon
Refractivity 92.55 ChemAxon
Polarizability 37.69 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 1.66 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Genome polyprotein : in HRV-16