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

C15H10FNO3 — CID 656954

IUPAC7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12
InChIInChI=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
InChIKeyMQIMZDXIAHJKQP-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.69
Rot. Bonds2

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

7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 656954) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID656954
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12
InChIInChI=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
InChIKeyMQIMZDXIAHJKQP-UHFFFAOYSA-N
XLogP3.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flunoxaprofen
CID 68869
2-(2-Benzoxazolyl)phenol
CID 13269
Way-200070
CID 135418373
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
2-(4-Hydroxyphenyl)benzo[d]oxazol-6-ol
CID 135471161
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135409723
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135430305

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 656954) is 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12.
What is the InChIKey of 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is MQIMZDXIAHJKQP-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 271.25 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 656954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).