2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C23H28N4O3 — CID 124953921

IUPAC2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2OC)o1
InChIInChI=1S/C23H28N4O3/c1-3-21-24-11-13-26(21)16-22(28)27-12-7-6-9-19(27)23-25-15-18(30-23)14-17-8-4-5-10-20(17)29-2/h4-5,8,10-11,13,15,19H,3,6-7,9,12,14,16H2,1-2H3/t19-/m1/s1
InChIKeyDYRWTZHTWUDLPP-LJQANCHMSA-N
MW408.50 g/mol
LogP3.79
Rot. Bonds7

About 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 124953921) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID124953921
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2OC)o1
InChIInChI=1S/C23H28N4O3/c1-3-21-24-11-13-26(21)16-22(28)27-12-7-6-9-19(27)23-25-15-18(30-23)14-17-8-4-5-10-20(17)29-2/h4-5,8,10-11,13,15,19H,3,6-7,9,12,14,16H2,1-2H3/t19-/m1/s1
InChIKeyDYRWTZHTWUDLPP-LJQANCHMSA-N
XLogP3.79
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124953644
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124951119
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 125010412
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 129454193
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125020032
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125021342
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129458192
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967922
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 125009713

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 124953921) is 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2OC)o1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DYRWTZHTWUDLPP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-21-24-11-13-26(21)16-22(28)27-12-7-6-9-19(27)23-25-15-18(30-23)14-17-8-4-5-10-20(17)29-2/h4-5,8,10-11,13,15,19H,3,6-7,9,12,14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 408.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124953921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).