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

C17H25N5O3 — CID 71687001

IUPAC2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC(OCc2nc(C(C)C)no2)C1
InChIInChI=1S/C17H25N5O3/c1-12(2)17-19-15(25-20-17)11-24-14-5-4-7-22(9-14)16(23)10-21-8-6-18-13(21)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3
InChIKeyMIFHSOVTPRUCHX-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.91
Rot. Bonds6

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

2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (PubChem CID 71687001) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
PubChem CID71687001
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC(OCc2nc(C(C)C)no2)C1
InChIInChI=1S/C17H25N5O3/c1-12(2)17-19-15(25-20-17)11-24-14-5-4-7-22(9-14)16(23)10-21-8-6-18-13(21)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3
InChIKeyMIFHSOVTPRUCHX-UHFFFAOYSA-N
XLogP1.91
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (CID 71687001) is 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCCC(OCc2nc(C(C)C)no2)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is MIFHSOVTPRUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(2)17-19-15(25-20-17)11-24-14-5-4-7-22(9-14)16(23)10-21-8-6-18-13(21)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71687001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).