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

C17H19N5O — CID 51104470

IUPAC3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-14(5-3-1)17-19-16(23-21-17)12-22-10-7-13(8-11-22)15-6-9-18-20-15/h1-6,9,13H,7-8,10-12H2,(H,18,20)
InChIKeyVQPZZAPBIVNYLS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds4

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

3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51104470) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51104470
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-14(5-3-1)17-19-16(23-21-17)12-22-10-7-13(8-11-22)15-6-9-18-20-15/h1-6,9,13H,7-8,10-12H2,(H,18,20)
InChIKeyVQPZZAPBIVNYLS-UHFFFAOYSA-N
XLogP2.84
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 51104470) is 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is VQPZZAPBIVNYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-4-14(5-3-1)17-19-16(23-21-17)12-22-10-7-13(8-11-22)15-6-9-18-20-15/h1-6,9,13H,7-8,10-12H2,(H,18,20).
What are the key properties of 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51104470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).