2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C19H23N5O — CID 95331994

IUPAC2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCCC[C@H]3Cn3cccn3)o2)cc1
InChIInChI=1S/C19H23N5O/c1-2-7-16(8-3-1)13-18-21-22-19(25-18)15-23-11-5-4-9-17(23)14-24-12-6-10-20-24/h1-3,6-8,10,12,17H,4-5,9,11,13-15H2/t17-/m0/s1
InChIKeyOKFFKWQOWOASHT-KRWDZBQOSA-N
MW337.43 g/mol
LogP2.91
Rot. Bonds6

About 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95331994) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95331994
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(CN3CCCC[C@H]3Cn3cccn3)o2)cc1
InChIInChI=1S/C19H23N5O/c1-2-7-16(8-3-1)13-18-21-22-19(25-18)15-23-11-5-4-9-17(23)14-24-12-6-10-20-24/h1-3,6-8,10,12,17H,4-5,9,11,13-15H2/t17-/m0/s1
InChIKeyOKFFKWQOWOASHT-KRWDZBQOSA-N
XLogP2.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95331994) is 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is c1ccc(Cc2nnc(CN3CCCC[C@H]3Cn3cccn3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is OKFFKWQOWOASHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-7-16(8-3-1)13-18-21-22-19(25-18)15-23-11-5-4-9-17(23)14-24-12-6-10-20-24/h1-3,6-8,10,12,17H,4-5,9,11,13-15H2/t17-/m0/s1.
What are the key properties of 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).