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

C16H23N5O3 — CID 87053121

IUPAC2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCC(C)c1noc(COC2CCN(C(=O)Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12(2)16-18-14(24-19-16)10-23-13-3-6-21(7-4-13)15(22)9-20-8-5-17-11-20/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3
InChIKeyVOXQPCAPTPCOTH-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.60
Rot. Bonds6

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

2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (PubChem CID 87053121) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
PubChem CID87053121
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCC(C)c1noc(COC2CCN(C(=O)Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12(2)16-18-14(24-19-16)10-23-13-3-6-21(7-4-13)15(22)9-20-8-5-17-11-20/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3
InChIKeyVOXQPCAPTPCOTH-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (CID 87053121) is 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is CC(C)c1noc(COC2CCN(C(=O)Cn3ccnc3)CC2)n1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is VOXQPCAPTPCOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12(2)16-18-14(24-19-16)10-23-13-3-6-21(7-4-13)15(22)9-20-8-5-17-11-20/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 87053121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).