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

C22H25FN4O2 — CID 125021342

IUPAC2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1
InChIInChI=1S/C22H25FN4O2/c1-2-20-24-9-11-26(20)15-21(28)27-10-4-3-8-19(27)22-25-14-18(29-22)13-16-6-5-7-17(23)12-16/h5-7,9,11-12,14,19H,2-4,8,10,13,15H2,1H3/t19-/m0/s1
InChIKeyYIYXKFUDLKQZCV-IBGZPJMESA-N
MW396.47 g/mol
LogP3.92
Rot. Bonds6

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

2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 125021342) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID125021342
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1
InChIInChI=1S/C22H25FN4O2/c1-2-20-24-9-11-26(20)15-21(28)27-10-4-3-8-19(27)22-25-14-18(29-22)13-16-6-5-7-17(23)12-16/h5-7,9,11-12,14,19H,2-4,8,10,13,15H2,1H3/t19-/m0/s1
InChIKeyYIYXKFUDLKQZCV-IBGZPJMESA-N
XLogP3.92
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124951119
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125020032
1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124953644
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124953921
2-(dimethylamino)-1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125003240
1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125002431
N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 125021697
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124958190
2-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125004789
1-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110119429
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 124982795

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 125021342) is 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is YIYXKFUDLKQZCV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-2-20-24-9-11-26(20)15-21(28)27-10-4-3-8-19(27)22-25-14-18(29-22)13-16-6-5-7-17(23)12-16/h5-7,9,11-12,14,19H,2-4,8,10,13,15H2,1H3/t19-/m0/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 396.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125021342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).