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

C16H24N6O — CID 138057970

IUPAC3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O/c1-2-13(11-21(6-1)12-14-3-9-23-20-14)15-10-16(19-18-15)22-7-4-17-5-8-22/h3,9-10,13,17H,1-2,4-8,11-12H2,(H,18,19)
InChIKeyGXFIHWFDAFTKNE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.19
Rot. Bonds4

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

3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 138057970) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID138057970
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O/c1-2-13(11-21(6-1)12-14-3-9-23-20-14)15-10-16(19-18-15)22-7-4-17-5-8-22/h3,9-10,13,17H,1-2,4-8,11-12H2,(H,18,19)
InChIKeyGXFIHWFDAFTKNE-UHFFFAOYSA-N
XLogP1.19
TPSA73.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 138057970) is 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is c1cc(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)no1.
What is the InChIKey of 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is GXFIHWFDAFTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-2-13(11-21(6-1)12-14-3-9-23-20-14)15-10-16(19-18-15)22-7-4-17-5-8-22/h3,9-10,13,17H,1-2,4-8,11-12H2,(H,18,19).
What are the key properties of 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 316.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 138057970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).