(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate

C26H19N3O5 — CID 2080341

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H19N3O5/c30-24-20-12-11-19(15-21(20)25(31)29(24)14-13-17-7-3-1-4-8-17)26(32)33-16-22-27-28-23(34-22)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2
InChIKeyYCDXYPQAYQJGMJ-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.93
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate (PubChem CID 2080341) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
PubChem CID2080341
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C26H19N3O5/c30-24-20-12-11-19(15-21(20)25(31)29(24)14-13-17-7-3-1-4-8-17)26(32)33-16-22-27-28-23(34-22)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2
InChIKeyYCDXYPQAYQJGMJ-UHFFFAOYSA-N
XLogP3.93
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate (CID 2080341) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate?
The InChIKey is YCDXYPQAYQJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O5/c30-24-20-12-11-19(15-21(20)25(31)29(24)14-13-17-7-3-1-4-8-17)26(32)33-16-22-27-28-23(34-22)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate has a molecular weight of 453.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate is sourced from PubChem (CID 2080341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).