1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione

C9H11N3O3 — CID 81170451

IUPAC1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2ccon2)C1=O
InChIInChI=1S/C9H11N3O3/c1-12-8(13)4-7(9(12)14)10-5-6-2-3-15-11-6/h2-3,7,10H,4-5H2,1H3
InChIKeySGEFUBAOAYZDRE-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.48
Rot. Bonds3

About 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione

1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 81170451) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID81170451
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2ccon2)C1=O
InChIInChI=1S/C9H11N3O3/c1-12-8(13)4-7(9(12)14)10-5-6-2-3-15-11-6/h2-3,7,10H,4-5H2,1H3
InChIKeySGEFUBAOAYZDRE-UHFFFAOYSA-N
XLogP-0.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 114699422
N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562122
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81343852
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 61375350

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione (CID 81170451) is 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione is CN1C(=O)CC(NCc2ccon2)C1=O.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is SGEFUBAOAYZDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12-8(13)4-7(9(12)14)10-5-6-2-3-15-11-6/h2-3,7,10H,4-5H2,1H3.
What are the key properties of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione?
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 209.20 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 81170451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).