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

C16H25N5O2 — CID 51104632

IUPAC2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCC(C)c1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-12(2)16-18-15(23-19-16)11-20-7-4-13(5-8-20)14-3-6-17-21(14)9-10-22/h3,6,12-13,22H,4-5,7-11H2,1-2H3
InChIKeyLZNAMYCVNPXZQJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.76
Rot. Bonds6

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

2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104632) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104632
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCC(C)c1noc(CN2CCC(c3ccnn3CCO)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-12(2)16-18-15(23-19-16)11-20-7-4-13(5-8-20)14-3-6-17-21(14)9-10-22/h3,6,12-13,22H,4-5,7-11H2,1-2H3
InChIKeyLZNAMYCVNPXZQJ-UHFFFAOYSA-N
XLogP1.76
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.76
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-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104632) is 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CC(C)c1noc(CN2CCC(c3ccnn3CCO)CC2)n1.
What is the InChIKey of 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is LZNAMYCVNPXZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(2)16-18-15(23-19-16)11-20-7-4-13(5-8-20)14-3-6-17-21(14)9-10-22/h3,6,12-13,22H,4-5,7-11H2,1-2H3.
What are the key properties of 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(3-propan-2-yl-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 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).