N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide

C16H20N4O4 — CID 16887272

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H20N4O4/c21-15(16(22)18-14-5-9-24-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-8-23-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)
InChIKeyQMLDQSXPAFVECR-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.23
Rot. Bonds5

About N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 16887272) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID16887272
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H20N4O4/c21-15(16(22)18-14-5-9-24-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-8-23-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)
InChIKeyQMLDQSXPAFVECR-UHFFFAOYSA-N
XLogP1.23
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16887280
N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786358
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 16887318
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887278
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16896180
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 16887272) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide is O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccon1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is QMLDQSXPAFVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-15(16(22)18-14-5-9-24-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-8-23-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22).
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 332.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 16887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).