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

C15H16N6O3 — CID 91891763

IUPACfuran-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C15H16N6O3/c1-10-16-14(24-18-10)13-8-21(19-17-13)12-2-5-20(6-3-12)15(22)11-4-7-23-9-11/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeyZFWIPQWTZROVTO-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.71
Rot. Bonds3

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

furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891763) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91891763
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Namefuran-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1
InChIInChI=1S/C15H16N6O3/c1-10-16-14(24-18-10)13-8-21(19-17-13)12-2-5-20(6-3-12)15(22)11-4-7-23-9-11/h4,7-9,12H,2-3,5-6H2,1H3
InChIKeyZFWIPQWTZROVTO-UHFFFAOYSA-N
XLogP1.71
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.71
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-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891763) is furan-3-yl-[4-[4-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is Cc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1.
What is the InChIKey of furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is ZFWIPQWTZROVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-10-16-14(24-18-10)13-8-21(19-17-13)12-2-5-20(6-3-12)15(22)11-4-7-23-9-11/h4,7-9,12H,2-3,5-6H2,1H3.
What are the key properties of furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
furan-3-yl-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 328.33 g/mol, XLogP of 1.71, 3 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-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).