5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C16H24N6O — CID 75455387

IUPAC5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1cc(C)nc(N2CCN(C(C)c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-5-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-23-15/h10,12H,5-9H2,1-4H3
InChIKeyIFZOAFFIZBJROY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.92
Rot. Bonds4

About 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75455387) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID75455387
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1cc(C)nc(N2CCN(C(C)c3nc(C)no3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-5-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-23-15/h10,12H,5-9H2,1-4H3
InChIKeyIFZOAFFIZBJROY-UHFFFAOYSA-N
XLogP1.92
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 75455387) is 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is CCc1cc(C)nc(N2CCN(C(C)c3nc(C)no3)CC2)n1.
What is the InChIKey of 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IFZOAFFIZBJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-14-10-11(2)17-16(19-14)22-8-6-21(7-9-22)12(3)15-18-13(4)20-23-15/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75455387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).