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

C15H21N5O3 — CID 71686983

IUPAC1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCCc1noc(COC2CCCN(C(=O)Cn3ccnc3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-2-13-17-14(23-18-13)10-22-12-4-3-6-20(8-12)15(21)9-19-7-5-16-11-19/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyWAPCPDQLVQKEGT-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.04
Rot. Bonds6

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

1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 71686983) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID71686983
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCCc1noc(COC2CCCN(C(=O)Cn3ccnc3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-2-13-17-14(23-18-13)10-22-12-4-3-6-20(8-12)15(21)9-19-7-5-16-11-19/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyWAPCPDQLVQKEGT-UHFFFAOYSA-N
XLogP1.04
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.04
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-imidazol-1-ylethanone?
The IUPAC name of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone (CID 71686983) is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone is CCc1noc(COC2CCCN(C(=O)Cn3ccnc3)C2)n1.
What is the InChIKey of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is WAPCPDQLVQKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-2-13-17-14(23-18-13)10-22-12-4-3-6-20(8-12)15(21)9-19-7-5-16-11-19/h5,7,11-12H,2-4,6,8-10H2,1H3.
What are the key properties of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 319.37 g/mol, XLogP of 1.04, 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-imidazol-1-ylethanone is sourced from PubChem (CID 71686983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).