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

C15H19N5O3 — CID 71686974

IUPAC[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H19N5O3/c1-2-13-18-14(23-19-13)10-22-11-4-3-7-20(9-11)15(21)12-8-16-5-6-17-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyYQMBSEFIODWKOE-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.24
Rot. Bonds5

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

[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 71686974) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID71686974
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H19N5O3/c1-2-13-18-14(23-19-13)10-22-11-4-3-7-20(9-11)15(21)12-8-16-5-6-17-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyYQMBSEFIODWKOE-UHFFFAOYSA-N
XLogP1.24
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 71686974) is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is CCc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is YQMBSEFIODWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-2-13-18-14(23-19-13)10-22-11-4-3-7-20(9-11)15(21)12-8-16-5-6-17-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 317.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 71686974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).