N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C17H22N4O3S — CID 16887347

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)no1
InChIInChI=1S/C17H22N4O3S/c1-12-9-15(20-24-12)19-17(23)16(22)18-10-13-4-6-21(7-5-13)11-14-3-2-8-25-14/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyABLFUAMZYKNBDB-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.01
Rot. Bonds5

About N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887347) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887347
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)no1
InChIInChI=1S/C17H22N4O3S/c1-12-9-15(20-24-12)19-17(23)16(22)18-10-13-4-6-21(7-5-13)11-14-3-2-8-25-14/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyABLFUAMZYKNBDB-UHFFFAOYSA-N
XLogP2.01
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887347) is N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is ABLFUAMZYKNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-9-15(20-24-12)19-17(23)16(22)18-10-13-4-6-21(7-5-13)11-14-3-2-8-25-14/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 362.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).