5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C17H23N3O2S — CID 102602829

IUPAC5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(Cc3cccs3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)16-10-15(19-22-16)17(21)18-13-5-7-20(8-6-13)11-14-4-3-9-23-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,18,21)
InChIKeyKJGYFPNUMCPDRV-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.25
Rot. Bonds5

About 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 102602829) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID102602829
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(Cc3cccs3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)16-10-15(19-22-16)17(21)18-13-5-7-20(8-6-13)11-14-4-3-9-23-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,18,21)
InChIKeyKJGYFPNUMCPDRV-UHFFFAOYSA-N
XLogP3.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
CID 97277644
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75497361
4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
CID 131912914
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24626986
N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043051
N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
CID 99633253
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 102602829) is 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCN(Cc3cccs3)CC2)no1.
What is the InChIKey of 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KJGYFPNUMCPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(2)16-10-15(19-22-16)17(21)18-13-5-7-20(8-6-13)11-14-4-3-9-23-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,18,21).
What are the key properties of 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102602829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).