1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione

C17H16N4O4 — CID 126851197

IUPAC1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1cc(-c2cccnc2)on1)N1CC(CN2C(=O)CCC2=O)C1
InChIInChI=1S/C17H16N4O4/c22-15-3-4-16(23)21(15)10-11-8-20(9-11)17(24)13-6-14(25-19-13)12-2-1-5-18-7-12/h1-2,5-7,11H,3-4,8-10H2
InChIKeyZEBANPGIUUYSJZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.96
Rot. Bonds4

About 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione

1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 126851197) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
PubChem CID126851197
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1cc(-c2cccnc2)on1)N1CC(CN2C(=O)CCC2=O)C1
InChIInChI=1S/C17H16N4O4/c22-15-3-4-16(23)21(15)10-11-8-20(9-11)17(24)13-6-14(25-19-13)12-2-1-5-18-7-12/h1-2,5-7,11H,3-4,8-10H2
InChIKeyZEBANPGIUUYSJZ-UHFFFAOYSA-N
XLogP0.96
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
CID 75476237
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
(7-phenyl-1,4-thiazepan-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 90629503
1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948191
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione (CID 126851197) is 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione is O=C(c1cc(-c2cccnc2)on1)N1CC(CN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is ZEBANPGIUUYSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-15-3-4-16(23)21(15)10-11-8-20(9-11)17(24)13-6-14(25-19-13)12-2-1-5-18-7-12/h1-2,5-7,11H,3-4,8-10H2.
What are the key properties of 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 340.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126851197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).