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

C29H24N2O6 — CID 91808215

IUPAC4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)C2c2ccccc2OC)cc1
InChIInChI=1S/C29H24N2O6/c1-17-16-24(37-30-17)18-8-12-20(13-9-18)31-26(22-6-4-5-7-23(22)36-3)25(28(33)29(31)34)27(32)19-10-14-21(35-2)15-11-19/h4-16,25-26H,1-3H3
InChIKeyYGFDRVPYXNZANO-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.82
Rot. Bonds7

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

4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione (PubChem CID 91808215) has the molecular formula C29H24N2O6 and a molecular weight of 496.52 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
PubChem CID91808215
Molecular FormulaC29H24N2O6
Molecular Weight496.52 g/mol
Exact Mass496.16
IUPAC Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)C2c2ccccc2OC)cc1
InChIInChI=1S/C29H24N2O6/c1-17-16-24(37-30-17)18-8-12-20(13-9-18)31-26(22-6-4-5-7-23(22)36-3)25(28(33)29(31)34)27(32)19-10-14-21(35-2)15-11-19/h4-16,25-26H,1-3H3
InChIKeyYGFDRVPYXNZANO-UHFFFAOYSA-N
XLogP4.82
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.82
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 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione (CID 91808215) is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)C2c2ccccc2OC)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is YGFDRVPYXNZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O6/c1-17-16-24(37-30-17)18-8-12-20(13-9-18)31-26(22-6-4-5-7-23(22)36-3)25(28(33)29(31)34)27(32)19-10-14-21(35-2)15-11-19/h4-16,25-26H,1-3H3.
What are the key properties of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 496.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 91808215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).