2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide

C17H19N3O3 — CID 119034663

IUPAC2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1ccc(C2CCCCN2C(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-5-7-13(8-6-12)14-4-2-3-10-20(14)17(22)16(21)18-15-9-11-23-19-15/h5-9,11,14H,2-4,10H2,1H3,(H,18,19,21)
InChIKeyXZUDLXBSAOQMNA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.68
Rot. Bonds2

About 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide

2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 119034663) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID119034663
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1ccc(C2CCCCN2C(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-5-7-13(8-6-12)14-4-2-3-10-20(14)17(22)16(21)18-15-9-11-23-19-15/h5-9,11,14H,2-4,10H2,1H3,(H,18,19,21)
InChIKeyXZUDLXBSAOQMNA-UHFFFAOYSA-N
XLogP2.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide (CID 119034663) is 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide is Cc1ccc(C2CCCCN2C(=O)C(=O)Nc2ccon2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is XZUDLXBSAOQMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-5-7-13(8-6-12)14-4-2-3-10-20(14)17(22)16(21)18-15-9-11-23-19-15/h5-9,11,14H,2-4,10H2,1H3,(H,18,19,21).
What are the key properties of 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 313.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)piperidin-1-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 119034663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).