4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C16H18N4OS — CID 51104466

IUPAC4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)c1
InChIInChI=1S/C16H18N4OS/c1-2-15(22-9-1)16-18-13(11-21-16)10-20-7-4-12(5-8-20)14-3-6-17-19-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,17,19)
InChIKeyTUZIAVURGOUPAD-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.51
Rot. Bonds4

About 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 51104466) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID51104466
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)c1
InChIInChI=1S/C16H18N4OS/c1-2-15(22-9-1)16-18-13(11-21-16)10-20-7-4-12(5-8-20)14-3-6-17-19-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,17,19)
InChIKeyTUZIAVURGOUPAD-UHFFFAOYSA-N
XLogP3.51
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 51104466) is 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)c1.
What is the InChIKey of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is TUZIAVURGOUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-2-15(22-9-1)16-18-13(11-21-16)10-20-7-4-12(5-8-20)14-3-6-17-19-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,17,19).
What are the key properties of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 314.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 51104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).