1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione

C10H15N5O3 — CID 106962572

IUPAC1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione
SMILESCNC(C)c1nnc(NC2CC(=O)N(C)C2=O)o1
InChIInChI=1S/C10H15N5O3/c1-5(11-2)8-13-14-10(18-8)12-6-4-7(16)15(3)9(6)17/h5-6,11H,4H2,1-3H3,(H,12,14)
InChIKeyBLFATMWAUYBPFO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.48
Rot. Bonds4

About 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione

1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione (PubChem CID 106962572) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione
PubChem CID106962572
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione
SMILESCNC(C)c1nnc(NC2CC(=O)N(C)C2=O)o1
InChIInChI=1S/C10H15N5O3/c1-5(11-2)8-13-14-10(18-8)12-6-4-7(16)15(3)9(6)17/h5-6,11H,4H2,1-3H3,(H,12,14)
InChIKeyBLFATMWAUYBPFO-UHFFFAOYSA-N
XLogP-0.48
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione (CID 106962572) is 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione is CNC(C)c1nnc(NC2CC(=O)N(C)C2=O)o1.
What is the InChIKey of 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is BLFATMWAUYBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-5(11-2)8-13-14-10(18-8)12-6-4-7(16)15(3)9(6)17/h5-6,11H,4H2,1-3H3,(H,12,14).
What are the key properties of 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione?
1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 253.26 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106962572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).