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

C14H17N5O3 — CID 87053220

IUPAC[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C14H17N5O3/c1-10-17-13(22-18-10)9-21-11-3-2-6-19(8-11)14(20)12-7-15-4-5-16-12/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyIMGRUYZXGDNTKB-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.99
Rot. Bonds4

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

[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87053220) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87053220
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C14H17N5O3/c1-10-17-13(22-18-10)9-21-11-3-2-6-19(8-11)14(20)12-7-15-4-5-16-12/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyIMGRUYZXGDNTKB-UHFFFAOYSA-N
XLogP0.99
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 87053220) is [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1noc(COC2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is IMGRUYZXGDNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10-17-13(22-18-10)9-21-11-3-2-6-19(8-11)14(20)12-7-15-4-5-16-12/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 303.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87053220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).