N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C13H20N4O3 — CID 121020450

IUPACN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C13H20N4O3/c1-16(2)13(19)17-7-4-10(5-8-17)9-14-12(18)11-3-6-15-20-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,18)
InChIKeyTWVMCWFVTBKKPT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.80
Rot. Bonds3

About N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 121020450) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID121020450
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C13H20N4O3/c1-16(2)13(19)17-7-4-10(5-8-17)9-14-12(18)11-3-6-15-20-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,18)
InChIKeyTWVMCWFVTBKKPT-UHFFFAOYSA-N
XLogP0.80
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 121020450) is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is CN(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TWVMCWFVTBKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(2)13(19)17-7-4-10(5-8-17)9-14-12(18)11-3-6-15-20-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,18).
What are the key properties of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121020450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).