4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

C26H26N2O4 — CID 91808252

IUPAC4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESCCc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H26N2O4/c1-5-16-8-6-7-9-19(16)22-21(24(30)26(2,3)4)23(29)25(31)28(22)18-12-10-17(11-13-18)20-14-15-32-27-20/h6-15,21-22H,5H2,1-4H3
InChIKeyMKHYPVJGCJKOBX-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.79
Rot. Bonds5

About 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (PubChem CID 91808252) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
PubChem CID91808252
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESCCc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H26N2O4/c1-5-16-8-6-7-9-19(16)22-21(24(30)26(2,3)4)23(29)25(31)28(22)18-12-10-17(11-13-18)20-14-15-32-27-20/h6-15,21-22H,5H2,1-4H3
InChIKeyMKHYPVJGCJKOBX-UHFFFAOYSA-N
XLogP4.79
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione 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 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (CID 91808252) is 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is CCc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is MKHYPVJGCJKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-5-16-8-6-7-9-19(16)22-21(24(30)26(2,3)4)23(29)25(31)28(22)18-12-10-17(11-13-18)20-14-15-32-27-20/h6-15,21-22H,5H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 430.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-5-(2-ethylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 91808252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).