3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole

C16H23N5O2 — CID 71857382

IUPAC3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)COc1cncc(N2CCN(Cc3ccon3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-13(2)12-22-16-10-17-9-15(18-16)21-6-4-20(5-7-21)11-14-3-8-23-19-14/h3,8-10,13H,4-7,11-12H2,1-2H3
InChIKeyBBNXJUSCDBMGFZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.82
Rot. Bonds6

About 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole

3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 71857382) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID71857382
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)COc1cncc(N2CCN(Cc3ccon3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-13(2)12-22-16-10-17-9-15(18-16)21-6-4-20(5-7-21)11-14-3-8-23-19-14/h3,8-10,13H,4-7,11-12H2,1-2H3
InChIKeyBBNXJUSCDBMGFZ-UHFFFAOYSA-N
XLogP1.82
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole (CID 71857382) is 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole is CC(C)COc1cncc(N2CCN(Cc3ccon3)CC2)n1.
What is the InChIKey of 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BBNXJUSCDBMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13(2)12-22-16-10-17-9-15(18-16)21-6-4-20(5-7-21)11-14-3-8-23-19-14/h3,8-10,13H,4-7,11-12H2,1-2H3.
What are the key properties of 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 317.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71857382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).