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

C17H25N5O2 — CID 91840149

IUPAC5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(CCC2CCN(Cc3noc(C4CCCO4)n3)CC2)c1
InChIInChI=1S/C17H25N5O2/c1-3-15(23-12-1)17-19-16(20-24-17)13-21-9-4-14(5-10-21)6-11-22-8-2-7-18-22/h2,7-8,14-15H,1,3-6,9-13H2
InChIKeyRVKPQWCAUIUUII-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.42
Rot. Bonds6

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

5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91840149) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91840149
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnn(CCC2CCN(Cc3noc(C4CCCO4)n3)CC2)c1
InChIInChI=1S/C17H25N5O2/c1-3-15(23-12-1)17-19-16(20-24-17)13-21-9-4-14(5-10-21)6-11-22-8-2-7-18-22/h2,7-8,14-15H,1,3-6,9-13H2
InChIKeyRVKPQWCAUIUUII-UHFFFAOYSA-N
XLogP2.42
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 91840149) is 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is c1cnn(CCC2CCN(Cc3noc(C4CCCO4)n3)CC2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RVKPQWCAUIUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-15(23-12-1)17-19-16(20-24-17)13-21-9-4-14(5-10-21)6-11-22-8-2-7-18-22/h2,7-8,14-15H,1,3-6,9-13H2.
What are the key properties of 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91840149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).