5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione

C26H26N2O5 — CID 91808571

IUPAC5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1
InChIInChI=1S/C26H26N2O5/c1-15(2)24(29)22-23(20-8-6-5-7-18(20)14-32-4)28(26(31)25(22)30)19-11-9-17(10-12-19)21-13-16(3)33-27-21/h5-13,15,22-23H,14H2,1-4H3
InChIKeySOSVPCYKPHAMSP-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.29
Rot. Bonds7

About 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione

5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (PubChem CID 91808571) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
PubChem CID91808571
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1
InChIInChI=1S/C26H26N2O5/c1-15(2)24(29)22-23(20-8-6-5-7-18(20)14-32-4)28(26(31)25(22)30)19-11-9-17(10-12-19)21-13-16(3)33-27-21/h5-13,15,22-23H,14H2,1-4H3
InChIKeySOSVPCYKPHAMSP-UHFFFAOYSA-N
XLogP4.29
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)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 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (CID 91808571) is 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The InChIKey is SOSVPCYKPHAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-15(2)24(29)22-23(20-8-6-5-7-18(20)14-32-4)28(26(31)25(22)30)19-11-9-17(10-12-19)21-13-16(3)33-27-21/h5-13,15,22-23H,14H2,1-4H3.
What are the key properties of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione has a molecular weight of 446.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).