2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

Benzoxazoles

Organic compounds

Organoheterocyclic compounds

Benzoxazoles

Calculated Property

kind Value Source
logP 3.28 ALOGPS
logS -3.4 ALOGPS
Water Solubility 1.03e-01 g/l ALOGPS
logP 3.62 ChemAxon
IUPAC Name 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol ChemAxon
Traditional IUPAC Name prinaberel ChemAxon
Molecular Weight 271.2432 ChemAxon
Monoisotopic Weight 271.064471396 ChemAxon
SMILES OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1 ChemAxon
Molecular Formula C15H10FNO3 ChemAxon
InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2 ChemAxon
InChIKey InChIKey=MQIMZDXIAHJKQP-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.49 ChemAxon
Refractivity 81.69 ChemAxon
Polarizability 27.21 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.53 ChemAxon
pKa (strongest basic) 1 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 0 ChemAxon

Target within organism

  • Estrogen receptor beta : in Human
  • Nuclear receptor coactivator 1 : in Human