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

C17H20N4OS — CID 70725154

IUPAC5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H20N4OS/c1-12-15(19-17(22-12)16-5-3-9-23-16)11-21-8-2-4-13(10-21)14-6-7-18-20-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20)
InChIKeyZZMVUFQEUOTACY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.81
Rot. Bonds4

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

5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 70725154) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID70725154
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H20N4OS/c1-12-15(19-17(22-12)16-5-3-9-23-16)11-21-8-2-4-13(10-21)14-6-7-18-20-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20)
InChIKeyZZMVUFQEUOTACY-UHFFFAOYSA-N
XLogP3.81
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 70725154) is 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is ZZMVUFQEUOTACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-12-15(19-17(22-12)16-5-3-9-23-16)11-21-8-2-4-13(10-21)14-6-7-18-20-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20).
What are the key properties of 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 328.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 70725154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).