2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H15N3O4S — CID 71801959

IUPAC2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)CC(c3cccs3)CC2=O)no1
InChIInChI=1S/C15H15N3O4S/c1-9-5-12(17-22-9)16-13(19)8-18-14(20)6-10(7-15(18)21)11-3-2-4-23-11/h2-5,10H,6-8H2,1H3,(H,16,17,19)
InChIKeyOJIYBBSOLMYYQV-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71801959) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71801959
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)CC(c3cccs3)CC2=O)no1
InChIInChI=1S/C15H15N3O4S/c1-9-5-12(17-22-9)16-13(19)8-18-14(20)6-10(7-15(18)21)11-3-2-4-23-11/h2-5,10H,6-8H2,1H3,(H,16,17,19)
InChIKeyOJIYBBSOLMYYQV-UHFFFAOYSA-N
XLogP1.92
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71801959) is 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)CC(c3cccs3)CC2=O)no1.
What is the InChIKey of 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OJIYBBSOLMYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-9-5-12(17-22-9)16-13(19)8-18-14(20)6-10(7-15(18)21)11-3-2-4-23-11/h2-5,10H,6-8H2,1H3,(H,16,17,19).
What are the key properties of 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-4-thiophen-2-ylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71801959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).