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

C15H21N5O2 — CID 136528451

IUPAC5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCOCCN1CCN(c2ccc(-c3nc(C)no3)cn2)CC1
InChIInChI=1S/C15H21N5O2/c1-12-17-15(22-18-12)13-3-4-14(16-11-13)20-7-5-19(6-8-20)9-10-21-2/h3-4,11H,5-10H2,1-2H3
InChIKeyKPCLXHAVFMRNHD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.21
Rot. Bonds5

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

5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 136528451) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID136528451
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCOCCN1CCN(c2ccc(-c3nc(C)no3)cn2)CC1
InChIInChI=1S/C15H21N5O2/c1-12-17-15(22-18-12)13-3-4-14(16-11-13)20-7-5-19(6-8-20)9-10-21-2/h3-4,11H,5-10H2,1-2H3
InChIKeyKPCLXHAVFMRNHD-UHFFFAOYSA-N
XLogP1.21
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 136528451) is 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is COCCN1CCN(c2ccc(-c3nc(C)no3)cn2)CC1.
What is the InChIKey of 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is KPCLXHAVFMRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12-17-15(22-18-12)13-3-4-14(16-11-13)20-7-5-19(6-8-20)9-10-21-2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 136528451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).