3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione

C11H15N3O3 — CID 164720806

IUPAC3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1cc(NC2CCC(=O)NC2=O)no1
InChIInChI=1S/C11H15N3O3/c1-6(2)8-5-9(14-17-8)12-7-3-4-10(15)13-11(7)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16)
InChIKeyIIDPHGQOPMZYHH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.02
Rot. Bonds3

About 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione

3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione (PubChem CID 164720806) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
PubChem CID164720806
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1cc(NC2CCC(=O)NC2=O)no1
InChIInChI=1S/C11H15N3O3/c1-6(2)8-5-9(14-17-8)12-7-3-4-10(15)13-11(7)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16)
InChIKeyIIDPHGQOPMZYHH-UHFFFAOYSA-N
XLogP1.02
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 164719881
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
CID 168793425
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80938018
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80855840
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione (CID 164720806) is 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione is CC(C)c1cc(NC2CCC(=O)NC2=O)no1.
What is the InChIKey of 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione?
The InChIKey is IIDPHGQOPMZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(2)8-5-9(14-17-8)12-7-3-4-10(15)13-11(7)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,13,15,16).
What are the key properties of 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione?
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 164720806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).