1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

C16H23N5O3 — CID 71686984

IUPAC1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCCc1noc(COC2CCCN(C(=O)Cn3ccnc3C)C2)n1
InChIInChI=1S/C16H23N5O3/c1-3-14-18-15(24-19-14)11-23-13-5-4-7-21(9-13)16(22)10-20-8-6-17-12(20)2/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyHWXXXVRYNMKCFO-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.34
Rot. Bonds6

About 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 71686984) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID71686984
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCCc1noc(COC2CCCN(C(=O)Cn3ccnc3C)C2)n1
InChIInChI=1S/C16H23N5O3/c1-3-14-18-15(24-19-14)11-23-13-5-4-7-21(9-13)16(22)10-20-8-6-17-12(20)2/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyHWXXXVRYNMKCFO-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 71686984) is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is CCc1noc(COC2CCCN(C(=O)Cn3ccnc3C)C2)n1.
What is the InChIKey of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is HWXXXVRYNMKCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-14-18-15(24-19-14)11-23-13-5-4-7-21(9-13)16(22)10-20-8-6-17-12(20)2/h6,8,13H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 333.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 71686984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).