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

C17H11NO4 — CID 135508383

IUPAC7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4ccco4)c3o2)cc1
InChIInChI=1S/C17H11NO4/c19-11-5-3-10(4-6-11)17-18-14-9-12(20)8-13(16(14)22-17)15-2-1-7-21-15/h1-9,19-20H
InChIKeyKLTLQYGMFIDEPA-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.17
Rot. Bonds2

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

7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135508383) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135508383
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4ccco4)c3o2)cc1
InChIInChI=1S/C17H11NO4/c19-11-5-3-10(4-6-11)17-18-14-9-12(20)8-13(16(14)22-17)15-2-1-7-21-15/h1-9,19-20H
InChIKeyKLTLQYGMFIDEPA-UHFFFAOYSA-N
XLogP4.17
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135508383) is 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)cc(-c4ccco4)c3o2)cc1.
What is the InChIKey of 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is KLTLQYGMFIDEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-11-5-3-10(4-6-11)17-18-14-9-12(20)8-13(16(14)22-17)15-2-1-7-21-15/h1-9,19-20H.
What are the key properties of 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 293.28 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135508383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).