5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one

C16H10N2O4 — CID 137028412

IUPAC5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21
InChIInChI=1S/C16H10N2O4/c19-12-4-1-9(2-5-12)15-17-14(18-22-15)10-3-6-13-11(7-10)8-21-16(13)20/h1-7,19H,8H2
InChIKeyKXQJHWHCTLIOCT-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.78
Rot. Bonds2

About 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one

5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one (PubChem CID 137028412) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one
PubChem CID137028412
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21
InChIInChI=1S/C16H10N2O4/c19-12-4-1-9(2-5-12)15-17-14(18-22-15)10-3-6-13-11(7-10)8-21-16(13)20/h1-7,19H,8H2
InChIKeyKXQJHWHCTLIOCT-UHFFFAOYSA-N
XLogP2.78
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one (CID 137028412) is 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21.
What is the InChIKey of 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one?
The InChIKey is KXQJHWHCTLIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c19-12-4-1-9(2-5-12)15-17-14(18-22-15)10-3-6-13-11(7-10)8-21-16(13)20/h1-7,19H,8H2.
What are the key properties of 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one?
5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one has a molecular weight of 294.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 137028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).