2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

C21H23FN4O2 — CID 125020032

IUPAC2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H23FN4O2/c1-2-19-23-9-11-25(19)14-20(27)26-10-3-4-18(26)21-24-13-17(28-21)12-15-5-7-16(22)8-6-15/h5-9,11,13,18H,2-4,10,12,14H2,1H3/t18-/m0/s1
InChIKeyYAFIREUNXJXAPQ-SFHVURJKSA-N
MW382.44 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 125020032) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID125020032
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H23FN4O2/c1-2-19-23-9-11-25(19)14-20(27)26-10-3-4-18(26)21-24-13-17(28-21)12-15-5-7-16(22)8-6-15/h5-9,11,13,18H,2-4,10,12,14H2,1H3/t18-/m0/s1
InChIKeyYAFIREUNXJXAPQ-SFHVURJKSA-N
XLogP3.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.53
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-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125021342
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124953644
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124953921
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 125012947
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125006601
1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110121097
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124952519
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110121023
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125002626
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (CID 125020032) is 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YAFIREUNXJXAPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-2-19-23-9-11-25(19)14-20(27)26-10-3-4-18(26)21-24-13-17(28-21)12-15-5-7-16(22)8-6-15/h5-9,11,13,18H,2-4,10,12,14H2,1H3/t18-/m0/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.53, 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-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125020032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).