1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione

C20H21N5O4 — CID 2984271

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1
InChIInChI=1S/C20H21N5O4/c1-12-10-17(22-29-12)25-18(26)11-16(19(25)27)23-8-6-13(7-9-23)24-15-5-3-2-4-14(15)21-20(24)28/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,28)
InChIKeySGHTXGPSSLLDKO-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.60
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2984271) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2984271
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1
InChIInChI=1S/C20H21N5O4/c1-12-10-17(22-29-12)25-18(26)11-16(19(25)27)23-8-6-13(7-9-23)24-15-5-3-2-4-14(15)21-20(24)28/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,28)
InChIKeySGHTXGPSSLLDKO-UHFFFAOYSA-N
XLogP1.60
TPSA104.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]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-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 2984271) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione is Cc1cc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SGHTXGPSSLLDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-10-17(22-29-12)25-18(26)11-16(19(25)27)23-8-6-13(7-9-23)24-15-5-3-2-4-14(15)21-20(24)28/h2-5,10,13,16H,6-9,11H2,1H3,(H,21,28).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 395.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2984271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).