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

C16H23N5O4 — CID 87053263

IUPAC[3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCc1noc(COC2CCCN(C(=O)c3ccnn3C)C2)n1
InChIInChI=1S/C16H23N5O4/c1-20-13(5-7-17-20)16(22)21-8-3-4-12(10-21)24-11-15-18-14(19-25-15)6-9-23-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyLIKNLXRDCWTVTG-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.81
Rot. Bonds7

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

[3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 87053263) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID87053263
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name[3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCc1noc(COC2CCCN(C(=O)c3ccnn3C)C2)n1
InChIInChI=1S/C16H23N5O4/c1-20-13(5-7-17-20)16(22)21-8-3-4-12(10-21)24-11-15-18-14(19-25-15)6-9-23-2/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyLIKNLXRDCWTVTG-UHFFFAOYSA-N
XLogP0.81
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 87053263) is [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is COCCc1noc(COC2CCCN(C(=O)c3ccnn3C)C2)n1.
What is the InChIKey of [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is LIKNLXRDCWTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-20-13(5-7-17-20)16(22)21-8-3-4-12(10-21)24-11-15-18-14(19-25-15)6-9-23-2/h5,7,12H,3-4,6,8-11H2,1-2H3.
What are the key properties of [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 87053263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).