[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C15H19N5O2 — CID 53191966

IUPAC[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)13-18-14(22-19-13)12-5-3-4-8-20(12)15(21)11-9-16-6-7-17-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyZDRZFKMYWYTABZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.35
Rot. Bonds3

About [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53191966) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53191966
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H19N5O2/c1-10(2)13-18-14(22-19-13)12-5-3-4-8-20(12)15(21)11-9-16-6-7-17-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyZDRZFKMYWYTABZ-UHFFFAOYSA-N
XLogP2.35
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 53191966) is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is CC(C)c1noc(C2CCCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ZDRZFKMYWYTABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)13-18-14(22-19-13)12-5-3-4-8-20(12)15(21)11-9-16-6-7-17-11/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53191966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).