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

C25H25N3O5 — CID 91808438

IUPAC5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C25H25N3O5/c1-14(2)22(29)20-21(19-8-6-5-7-17(19)13-32-4)28(25(31)23(20)30)18-11-9-16(10-12-18)24-26-15(3)33-27-24/h5-12,14,20-21H,13H2,1-4H3
InChIKeyZCAWJZZMAJUESN-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.69
Rot. Bonds7

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

5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (PubChem CID 91808438) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
PubChem CID91808438
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C25H25N3O5/c1-14(2)22(29)20-21(19-8-6-5-7-17(19)13-32-4)28(25(31)23(20)30)18-11-9-16(10-12-18)24-26-15(3)33-27-24/h5-12,14,20-21H,13H2,1-4H3
InChIKeyZCAWJZZMAJUESN-UHFFFAOYSA-N
XLogP3.69
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (CID 91808438) is 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The InChIKey is ZCAWJZZMAJUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-14(2)22(29)20-21(19-8-6-5-7-17(19)13-32-4)28(25(31)23(20)30)18-11-9-16(10-12-18)24-26-15(3)33-27-24/h5-12,14,20-21H,13H2,1-4H3.
What are the key properties of 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione has a molecular weight of 447.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).