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

C15H17N5O2 — CID 51104544

IUPAC3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)c1
InChIInChI=1S/C15H17N5O2/c1-2-13(21-9-1)15-17-14(22-19-15)10-20-7-4-11(5-8-20)12-3-6-16-18-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,16,18)
InChIKeyOSKRJUSKGQMBDL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.43
Rot. Bonds4

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

3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51104544) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51104544
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)c1
InChIInChI=1S/C15H17N5O2/c1-2-13(21-9-1)15-17-14(22-19-15)10-20-7-4-11(5-8-20)12-3-6-16-18-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,16,18)
InChIKeyOSKRJUSKGQMBDL-UHFFFAOYSA-N
XLogP2.43
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 51104544) is 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is c1coc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OSKRJUSKGQMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-13(21-9-1)15-17-14(22-19-15)10-20-7-4-11(5-8-20)12-3-6-16-18-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,16,18).
What are the key properties of 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).