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

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.

Phenyltetrazoles and derivatives

Organic compounds

Organoheterocyclic compounds

Azoles

Tetrazoles

Calculated Property

kind Value Source
logP 3.05 ALOGPS
logS -3.5 ALOGPS
Water Solubility 1.05e-01 g/l ALOGPS
logP 3.81 ChemAxon
IUPAC Name 5-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-2-methyl-2H-1,2,3,4-tetrazole ChemAxon
Traditional IUPAC Name 5-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-2-methyl-1,2,3,4-tetrazole ChemAxon
Molecular Weight 327.3809 ChemAxon
Monoisotopic Weight 327.169524941 ChemAxon
SMILES CN1N=NC(=N1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1 ChemAxon
Molecular Formula C17H21N5O2 ChemAxon
InChI InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3 ChemAxon
InChIKey InChIKey=RVZKQTQAFHEOKT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 78.86 ChemAxon
Refractivity 115.22 ChemAxon
Polarizability 36.82 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 1.64 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