3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione

C10H13N3O3 — CID 106370763

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1cnc(CNC2CC(=O)NC2=O)o1
InChIInChI=1S/C10H13N3O3/c1-2-6-4-12-9(16-6)5-11-7-3-8(14)13-10(7)15/h4,7,11H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyJJKHWRZXAFQMSC-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.26
Rot. Bonds4

About 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione

3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 106370763) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID106370763
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1cnc(CNC2CC(=O)NC2=O)o1
InChIInChI=1S/C10H13N3O3/c1-2-6-4-12-9(16-6)5-11-7-3-8(14)13-10(7)15/h4,7,11H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyJJKHWRZXAFQMSC-UHFFFAOYSA-N
XLogP-0.26
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106375981
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 113428820
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 106368879
3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61000286
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284446
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106369024
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 106368996
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104926902

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione (CID 106370763) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione is CCc1cnc(CNC2CC(=O)NC2=O)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is JJKHWRZXAFQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-6-4-12-9(16-6)5-11-7-3-8(14)13-10(7)15/h4,7,11H,2-3,5H2,1H3,(H,13,14,15).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione?
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 223.23 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106370763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).