3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C17H24N6O2 — CID 38497213

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)16-20-14(25-21-16)4-5-15(24)23-10-8-22(9-11-23)13-12-18-6-7-19-13/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyQKTREZQGSFEXLV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.44
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 38497213) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID38497213
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)16-20-14(25-21-16)4-5-15(24)23-10-8-22(9-11-23)13-12-18-6-7-19-13/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyQKTREZQGSFEXLV-UHFFFAOYSA-N
XLogP1.44
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 38497213) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is CC(C)(C)c1noc(CCC(=O)N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is QKTREZQGSFEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)16-20-14(25-21-16)4-5-15(24)23-10-8-22(9-11-23)13-12-18-6-7-19-13/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 38497213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).