1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

C19H20N2O3 — CID 127677869

IUPAC1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2(C)CC(=O)N(Cc3ncc(C4CC4)o3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-12-3-7-14(8-4-12)19(2)9-17(22)21(18(19)23)11-16-20-10-15(24-16)13-5-6-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3
InChIKeyAJNXIDCBOWTTJV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.08
Rot. Bonds4

About 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 127677869) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID127677869
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2(C)CC(=O)N(Cc3ncc(C4CC4)o3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-12-3-7-14(8-4-12)19(2)9-17(22)21(18(19)23)11-16-20-10-15(24-16)13-5-6-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3
InChIKeyAJNXIDCBOWTTJV-UHFFFAOYSA-N
XLogP3.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-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 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione (CID 127677869) is 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(C2(C)CC(=O)N(Cc3ncc(C4CC4)o3)C2=O)cc1.
What is the InChIKey of 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is AJNXIDCBOWTTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-3-7-14(8-4-12)19(2)9-17(22)21(18(19)23)11-16-20-10-15(24-16)13-5-6-13/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 127677869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).