(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate

C23H16N2O4 — CID 166357021

IUPAC(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1noc(-c2ccccc2)n1
InChIInChI=1S/C23H16N2O4/c26-22(27-14-21-24-23(29-25-21)16-7-2-1-3-8-16)13-17-12-19-18-9-5-4-6-15(18)10-11-20(19)28-17/h1-12H,13-14H2
InChIKeyDYHDREITWRYOEM-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.92
Rot. Bonds5

About (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate

(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (PubChem CID 166357021) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.

Molecular Properties

Compound Name(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
PubChem CID166357021
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1noc(-c2ccccc2)n1
InChIInChI=1S/C23H16N2O4/c26-22(27-14-21-24-23(29-25-21)16-7-2-1-3-8-16)13-17-12-19-18-9-5-4-6-15(18)10-11-20(19)28-17/h1-12H,13-14H2
InChIKeyDYHDREITWRYOEM-UHFFFAOYSA-N
XLogP4.92
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The IUPAC name of (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (CID 166357021) is (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.
What is the SMILES notation for (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The canonical SMILES for (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1noc(-c2ccccc2)n1.
What is the InChIKey of (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The InChIKey is DYHDREITWRYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-22(27-14-21-24-23(29-25-21)16-7-2-1-3-8-16)13-17-12-19-18-9-5-4-6-15(18)10-11-20(19)28-17/h1-12H,13-14H2.
What are the key properties of (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate has a molecular weight of 384.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is sourced from PubChem (CID 166357021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).