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

C16H23N5O3 — CID 91907883

IUPAC[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccnn3CC)C2)no1
InChIInChI=1S/C16H23N5O3/c1-3-21-13(7-8-17-21)16(22)20-9-5-6-12(10-20)15-18-14(24-19-15)11-23-4-2/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyRRBQKEVVXWFPIL-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.84
Rot. Bonds6

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

[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 91907883) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID91907883
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccnn3CC)C2)no1
InChIInChI=1S/C16H23N5O3/c1-3-21-13(7-8-17-21)16(22)20-9-5-6-12(10-20)15-18-14(24-19-15)11-23-4-2/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyRRBQKEVVXWFPIL-UHFFFAOYSA-N
XLogP1.84
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 91907883) is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCOCc1nc(C2CCCN(C(=O)c3ccnn3CC)C2)no1.
What is the InChIKey of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is RRBQKEVVXWFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-21-13(7-8-17-21)16(22)20-9-5-6-12(10-20)15-18-14(24-19-15)11-23-4-2/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 1.84, 6 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-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91907883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).