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

C16H12FNO3 — CID 59741629

IUPAC7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(OC)c(F)c3)oc12
InChIInChI=1S/C16H12FNO3/c1-3-9-6-11(19)8-13-15(9)21-16(18-13)10-4-5-14(20-2)12(17)7-10/h3-8,19H,1H2,2H3
InChIKeyZCCFCHXYJDEYFX-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.99
Rot. Bonds3

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

7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 59741629) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID59741629
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(OC)c(F)c3)oc12
InChIInChI=1S/C16H12FNO3/c1-3-9-6-11(19)8-13-15(9)21-16(18-13)10-4-5-14(20-2)12(17)7-10/h3-8,19H,1H2,2H3
InChIKeyZCCFCHXYJDEYFX-UHFFFAOYSA-N
XLogP3.99
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diazanium;[4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluorophenyl] phosphate
CID 67392934
(2S,3S,4S,5R,6S)-6-[4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11554142
2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol
CID 135545359
4-[7-ethenyl-5-(4-hydroxyphenyl)-1,3-benzoxazol-2-yl]-2-fluorophenol
CID 174507809
[4-[5-[tert-butyl(dimethyl)silyl]oxy-7-ethenyl-1,3-benzoxazol-2-yl]-2-fluorophenyl] hydrogen sulfate
CID 24900533
[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-7-ethenyl-1,3-benzoxazol-5-yl] hydrogen sulfate
CID 24937120
2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81332827
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde;5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 159318497
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 135522279
tert-butyl-[4-[5-[tert-butyl(dimethyl)silyl]oxy-7-ethenyl-1,3-benzoxazol-2-yl]-2-fluorophenoxy]-dimethylsilane;dichloropalladium;bis(tris(2-methylphenyl)phosphane)
CID 173158927
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
4-bromo-7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135483660

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol (CID 59741629) is 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol is C=Cc1cc(O)cc2nc(-c3ccc(OC)c(F)c3)oc12.
What is the InChIKey of 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is ZCCFCHXYJDEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-3-9-6-11(19)8-13-15(9)21-16(18-13)10-4-5-14(20-2)12(17)7-10/h3-8,19H,1H2,2H3.
What are the key properties of 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol?
7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 285.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 59741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).