2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C20H24N6O2 — CID 86895309

IUPAC2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCOc1ccnc(N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-2-27-17-8-9-21-20(22-17)26-12-10-25(11-13-26)15-19-24-23-18(28-19)14-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeyCIWAWWDROLTHAB-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.17
Rot. Bonds7

About 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 86895309) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID86895309
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCOc1ccnc(N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-2-27-17-8-9-21-20(22-17)26-12-10-25(11-13-26)15-19-24-23-18(28-19)14-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeyCIWAWWDROLTHAB-UHFFFAOYSA-N
XLogP2.17
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 86895309) is 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is CCOc1ccnc(N2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)n1.
What is the InChIKey of 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CIWAWWDROLTHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-27-17-8-9-21-20(22-17)26-12-10-25(11-13-26)15-19-24-23-18(28-19)14-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3.
What are the key properties of 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 380.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).