1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione

C13H15N3O4 — CID 4992663

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(N3CCC(=O)CC3)C2=O)no1
InChIInChI=1S/C13H15N3O4/c1-8-6-11(14-20-8)16-12(18)7-10(13(16)19)15-4-2-9(17)3-5-15/h6,10H,2-5,7H2,1H3
InChIKeyBMKLOKIDRTVFLP-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.28
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione

1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 4992663) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID4992663
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(N3CCC(=O)CC3)C2=O)no1
InChIInChI=1S/C13H15N3O4/c1-8-6-11(14-20-8)16-12(18)7-10(13(16)19)15-4-2-9(17)3-5-15/h6,10H,2-5,7H2,1H3
InChIKeyBMKLOKIDRTVFLP-UHFFFAOYSA-N
XLogP0.28
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(5-methyl-1,2-oxazol-3-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 125117491
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 1256195
3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 87048086
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1091344
5,6-dibromo-2-(5-methyl-1,2-oxazol-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3467083
(3aS,7aS)-2-(5-methyl-1,2-oxazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6544340
2-(5-methyl-1,2-oxazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3149893
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 978676
(1S,2S,6S,7S)-4-(5-methyl-1,2-oxazol-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 6567287
(1R,2S,6S,7S)-4-(5-methyl-1,2-oxazol-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871787
(1R,2S,6S,7R)-4-(5-methyl-1,2-oxazol-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98186393
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6978395

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione (CID 4992663) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione is Cc1cc(N2C(=O)CC(N3CCC(=O)CC3)C2=O)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is BMKLOKIDRTVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8-6-11(14-20-8)16-12(18)7-10(13(16)19)15-4-2-9(17)3-5-15/h6,10H,2-5,7H2,1H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione?
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 277.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4992663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).