[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H21N5O3 — CID 91918496

IUPAC[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1
InChIInChI=1S/C15H21N5O3/c1-3-22-10-13-17-14(18-23-13)11-5-4-8-20(9-11)15(21)12-6-7-16-19(12)2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLXLCSXPKYIWQIF-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.36
Rot. Bonds5

About [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91918496) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91918496
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1
InChIInChI=1S/C15H21N5O3/c1-3-22-10-13-17-14(18-23-13)11-5-4-8-20(9-11)15(21)12-6-7-16-19(12)2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLXLCSXPKYIWQIF-UHFFFAOYSA-N
XLogP1.36
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91918496) is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCOCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1.
What is the InChIKey of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is LXLCSXPKYIWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-22-10-13-17-14(18-23-13)11-5-4-8-20(9-11)15(21)12-6-7-16-19(12)2/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91918496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).