4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C15H9BrFNO3 — CID 135483660

IUPAC4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H9BrFNO3/c1-2-7-6-11(20)12(16)13-14(7)21-15(18-13)8-3-4-10(19)9(17)5-8/h2-6,19-20H,1H2
InChIKeyOWJBLZLBZZVCHZ-UHFFFAOYSA-N
MW350.14 g/mol
LogP4.45
Rot. Bonds2

About 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135483660) has the molecular formula C15H9BrFNO3 and a molecular weight of 350.14 g/mol. Its IUPAC name is 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135483660
Molecular FormulaC15H9BrFNO3
Molecular Weight350.14 g/mol
Exact Mass348.97
IUPAC Name4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H9BrFNO3/c1-2-7-6-11(20)12(16)13-14(7)21-15(18-13)8-3-4-10(19)9(17)5-8/h2-6,19-20H,1H2
InChIKeyOWJBLZLBZZVCHZ-UHFFFAOYSA-N
XLogP4.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135483660) is 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is C=Cc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12.
What is the InChIKey of 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is OWJBLZLBZZVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO3/c1-2-7-6-11(20)12(16)13-14(7)21-15(18-13)8-3-4-10(19)9(17)5-8/h2-6,19-20H,1H2.
What are the key properties of 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 350.14 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135483660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).