3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C15H22N6O — CID 35017329

IUPAC3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C15H22N6O/c1-11(2)14-18-15(22-19-14)12(3)20-6-8-21(9-7-20)13-10-16-4-5-17-13/h4-5,10-12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyJHMUVFAEOZKXKV-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.87
Rot. Bonds4

About 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 35017329) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID35017329
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C15H22N6O/c1-11(2)14-18-15(22-19-14)12(3)20-6-8-21(9-7-20)13-10-16-4-5-17-13/h4-5,10-12H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyJHMUVFAEOZKXKV-GFCCVEGCSA-N
XLogP1.87
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 35017329) is 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CC(C)c1noc([C@@H](C)N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is JHMUVFAEOZKXKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)14-18-15(22-19-14)12(3)20-6-8-21(9-7-20)13-10-16-4-5-17-13/h4-5,10-12H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 35017329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).