furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

C17H20N6O3 — CID 91891909

IUPACfuran-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C17H20N6O3/c1-2-3-15-18-16(26-20-15)14-10-23(21-19-14)13-4-7-22(8-5-13)17(24)12-6-9-25-11-12/h6,9-11,13H,2-5,7-8H2,1H3
InChIKeyGYJSBHNNTOBSGJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.35
Rot. Bonds5

About furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891909) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91891909
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Namefuran-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C17H20N6O3/c1-2-3-15-18-16(26-20-15)14-10-23(21-19-14)13-4-7-22(8-5-13)17(24)12-6-9-25-11-12/h6,9-11,13H,2-5,7-8H2,1H3
InChIKeyGYJSBHNNTOBSGJ-UHFFFAOYSA-N
XLogP2.35
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891909) is furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is CCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1.
What is the InChIKey of furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GYJSBHNNTOBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-2-3-15-18-16(26-20-15)14-10-23(21-19-14)13-4-7-22(8-5-13)17(24)12-6-9-25-11-12/h6,9-11,13H,2-5,7-8H2,1H3.
What are the key properties of furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).