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

C17H10FNO4 — CID 135508397

IUPAC2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1cc(-c2ccco2)c2oc(-c3ccc(O)c(F)c3)nc2c1
InChIInChI=1S/C17H10FNO4/c18-12-6-9(3-4-14(12)21)17-19-13-8-10(20)7-11(16(13)23-17)15-2-1-5-22-15/h1-8,20-21H
InChIKeyZXYPUZBZVXTGTD-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.31
Rot. Bonds2

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

2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol (PubChem CID 135508397) has the molecular formula C17H10FNO4 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol
PubChem CID135508397
Molecular FormulaC17H10FNO4
Molecular Weight311.27 g/mol
Exact Mass311.06
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol
SMILESOc1cc(-c2ccco2)c2oc(-c3ccc(O)c(F)c3)nc2c1
InChIInChI=1S/C17H10FNO4/c18-12-6-9(3-4-14(12)21)17-19-13-8-10(20)7-11(16(13)23-17)15-2-1-5-22-15/h1-8,20-21H
InChIKeyZXYPUZBZVXTGTD-UHFFFAOYSA-N
XLogP4.31
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol (CID 135508397) is 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol is Oc1cc(-c2ccco2)c2oc(-c3ccc(O)c(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol?
The InChIKey is ZXYPUZBZVXTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO4/c18-12-6-9(3-4-14(12)21)17-19-13-8-10(20)7-11(16(13)23-17)15-2-1-5-22-15/h1-8,20-21H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol?
2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol has a molecular weight of 311.27 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-7-(furan-2-yl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135508397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).