(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C15H21N5O3 — CID 91907855

IUPAC(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3noc(COC)n3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-3-20-8-6-12(17-20)15(21)19-7-4-5-11(9-19)14-16-13(10-22-2)23-18-14/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyLTXNVSXQDISPBF-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.45
Rot. Bonds5

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

(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91907855) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91907855
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3noc(COC)n3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-3-20-8-6-12(17-20)15(21)19-7-4-5-11(9-19)14-16-13(10-22-2)23-18-14/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyLTXNVSXQDISPBF-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91907855) is (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(c3noc(COC)n3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is LTXNVSXQDISPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-20-8-6-12(17-20)15(21)19-7-4-5-11(9-19)14-16-13(10-22-2)23-18-14/h6,8,11H,3-5,7,9-10H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 319.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91907855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).