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

C15H21N5O3 — CID 91918459

IUPAC(2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2noc(COC)n2)C1
InChIInChI=1S/C15H21N5O3/c1-3-20-12(6-7-16-20)15(21)19-8-4-5-11(9-19)14-17-13(10-22-2)23-18-14/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyVKDQFIATKJBYEC-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.45
Rot. Bonds5

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

(2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91918459) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91918459
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2noc(COC)n2)C1
InChIInChI=1S/C15H21N5O3/c1-3-20-12(6-7-16-20)15(21)19-8-4-5-11(9-19)14-17-13(10-22-2)23-18-14/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyVKDQFIATKJBYEC-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 (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91918459) is (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC(c2noc(COC)n2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VKDQFIATKJBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-20-12(6-7-16-20)15(21)19-8-4-5-11(9-19)14-17-13(10-22-2)23-18-14/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(2-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 (2-ethylpyrazol-3-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).