4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C17H20N4OS — CID 56780326

IUPAC4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCCCC3Cn3cccn3)co2)c1
InChIInChI=1S/C17H20N4OS/c1-2-8-20(15(5-1)12-21-9-4-7-18-21)11-14-13-22-17(19-14)16-6-3-10-23-16/h3-4,6-7,9-10,13,15H,1-2,5,8,11-12H2
InChIKeyHKVXPHCRTVUJKS-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.65
Rot. Bonds5

About 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 56780326) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID56780326
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCCCC3Cn3cccn3)co2)c1
InChIInChI=1S/C17H20N4OS/c1-2-8-20(15(5-1)12-21-9-4-7-18-21)11-14-13-22-17(19-14)16-6-3-10-23-16/h3-4,6-7,9-10,13,15H,1-2,5,8,11-12H2
InChIKeyHKVXPHCRTVUJKS-UHFFFAOYSA-N
XLogP3.65
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 42299091
2-(Pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 53557614
4-[[2-(Furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559184
4-[[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559201
5-Methyl-4-[[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 53562739
4-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 53618308
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53621531
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53623504
(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53624004
4-[(2-Thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53626909
N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-(1H-pyrazol-3-ylmethyl)methanamine
CID 56756802
4-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56780474

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 56780326) is 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(CN3CCCCC3Cn3cccn3)co2)c1.
What is the InChIKey of 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is HKVXPHCRTVUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-8-20(15(5-1)12-21-9-4-7-18-21)11-14-13-22-17(19-14)16-6-3-10-23-16/h3-4,6-7,9-10,13,15H,1-2,5,8,11-12H2.
What are the key properties of 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 328.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 56780326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).