3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione

C10H13N3O3 — CID 106388110

IUPAC3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCc1cnc(C(C)NC2CC(=O)NC2=O)o1
InChIInChI=1S/C10H13N3O3/c1-5-4-11-10(16-5)6(2)12-7-3-8(14)13-9(7)15/h4,6-7,12H,3H2,1-2H3,(H,13,14,15)
InChIKeyFWWGWBWFVBXLHH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.05
Rot. Bonds3

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

3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 106388110) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID106388110
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCc1cnc(C(C)NC2CC(=O)NC2=O)o1
InChIInChI=1S/C10H13N3O3/c1-5-4-11-10(16-5)6(2)12-7-3-8(14)13-9(7)15/h4,6-7,12H,3H2,1-2H3,(H,13,14,15)
InChIKeyFWWGWBWFVBXLHH-UHFFFAOYSA-N
XLogP0.05
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione (CID 106388110) is 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione is Cc1cnc(C(C)NC2CC(=O)NC2=O)o1.
What is the InChIKey of 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is FWWGWBWFVBXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-4-11-10(16-5)6(2)12-7-3-8(14)13-9(7)15/h4,6-7,12H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione?
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 223.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106388110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).