2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C16H25N5O2 — CID 51104634

IUPAC2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-2-3-15-18-16(23-19-15)12-20-8-5-13(6-9-20)14-4-7-17-21(14)10-11-22/h4,7,13,22H,2-3,5-6,8-12H2,1H3
InChIKeyCGPLFWCNXIQBMV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.59
Rot. Bonds7

About 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104634) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104634
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-2-3-15-18-16(23-19-15)12-20-8-5-13(6-9-20)14-4-7-17-21(14)10-11-22/h4,7,13,22H,2-3,5-6,8-12H2,1H3
InChIKeyCGPLFWCNXIQBMV-UHFFFAOYSA-N
XLogP1.59
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104634) is 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CCCc1noc(CN2CCC(c3ccnn3CCO)CC2)n1.
What is the InChIKey of 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is CGPLFWCNXIQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-3-15-18-16(23-19-15)12-20-8-5-13(6-9-20)14-4-7-17-21(14)10-11-22/h4,7,13,22H,2-3,5-6,8-12H2,1H3.
What are the key properties of 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 319.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).