5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE

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 4.48 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.72e-02 g/l ALOGPS
logP 3.86 ChemAxon
IUPAC Name 5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole ChemAxon
Traditional IUPAC Name compound VII ChemAxon
Molecular Weight 348.824 ChemAxon
Monoisotopic Weight 348.124070255 ChemAxon
SMILES CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1 ChemAxon
Molecular Formula C18H21ClN2O3 ChemAxon
InChI InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3 ChemAxon
InChIKey InChIKey=FCSKOFQQCWLGMV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 56.85 ChemAxon
Refractivity 93.84 ChemAxon
Polarizability 38.42 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 3.29 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-14