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

C16H20N4O3S — CID 16887357

IUPACN'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H20N4O3S/c21-15(16(22)18-14-5-8-23-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-9-24-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)
InChIKeyBGAHMINTEJOBEP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.70
Rot. Bonds5

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

N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887357) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887357
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccon1
InChIInChI=1S/C16H20N4O3S/c21-15(16(22)18-14-5-8-23-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-9-24-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)
InChIKeyBGAHMINTEJOBEP-UHFFFAOYSA-N
XLogP1.70
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.70
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'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887357) is N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccon1.
What is the InChIKey of N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is BGAHMINTEJOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-15(16(22)18-14-5-8-23-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-9-24-13/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'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 348.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).