3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C15H20N4O2 — CID 62716190

IUPAC3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(COc2ccccc2)no1)N1CCNCC1
InChIInChI=1S/C15H20N4O2/c1-12(19-9-7-16-8-10-19)15-17-14(18-21-15)11-20-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3
InChIKeyLBFKUNNYVQIIHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.61
Rot. Bonds5

About 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 62716190) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID62716190
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(COc2ccccc2)no1)N1CCNCC1
InChIInChI=1S/C15H20N4O2/c1-12(19-9-7-16-8-10-19)15-17-14(18-21-15)11-20-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3
InChIKeyLBFKUNNYVQIIHA-UHFFFAOYSA-N
XLogP1.61
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191
2-(1-piperazin-1-ylethyl)-1,3-oxazole
CID 22361246
5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343102
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
3-methyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43108787
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 62716190) is 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1nc(COc2ccccc2)no1)N1CCNCC1.
What is the InChIKey of 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is LBFKUNNYVQIIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12(19-9-7-16-8-10-19)15-17-14(18-21-15)11-20-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3.
What are the key properties of 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62716190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).