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

C23H16N2O3 — CID 162663567

IUPAC3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)c2ccccc21
InChIInChI=1S/C23H16N2O3/c26-23-19-9-5-4-8-18(19)20(27-23)14-21-24-22(25-28-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyXDBUZXRMYQCNQR-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.86
Rot. Bonds4

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

3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one (PubChem CID 162663567) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one
PubChem CID162663567
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)c2ccccc21
InChIInChI=1S/C23H16N2O3/c26-23-19-9-5-4-8-18(19)20(27-23)14-21-24-22(25-28-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyXDBUZXRMYQCNQR-UHFFFAOYSA-N
XLogP4.86
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one (CID 162663567) is 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one is O=C1OC(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)c2ccccc21.
What is the InChIKey of 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one?
The InChIKey is XDBUZXRMYQCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-23-19-9-5-4-8-18(19)20(27-23)14-21-24-22(25-28-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20H,14H2.
What are the key properties of 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one?
3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one has a molecular weight of 368.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 162663567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).