1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone

C20H21FN4O2 — CID 125012947

IUPAC1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H21FN4O2/c21-16-6-4-15(5-7-16)11-17-12-23-20(27-17)18-3-1-2-9-25(18)19(26)13-24-10-8-22-14-24/h4-8,10,12,14,18H,1-3,9,11,13H2/t18-/m1/s1
InChIKeyWBRHOFZWXSIFJC-GOSISDBHSA-N
MW368.41 g/mol
LogP3.35
Rot. Bonds5

About 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone

1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 125012947) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID125012947
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H21FN4O2/c21-16-6-4-15(5-7-16)11-17-12-23-20(27-17)18-3-1-2-9-25(18)19(26)13-24-10-8-22-14-24/h4-8,10,12,14,18H,1-3,9,11,13H2/t18-/m1/s1
InChIKeyWBRHOFZWXSIFJC-GOSISDBHSA-N
XLogP3.35
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 125012704
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125020032
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124972208
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124956706
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125006601
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124978238
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 155983761

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone (CID 125012947) is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is WBRHOFZWXSIFJC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-6-4-15(5-7-16)11-17-12-23-20(27-17)18-3-1-2-9-25(18)19(26)13-24-10-8-22-14-24/h4-8,10,12,14,18H,1-3,9,11,13H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 368.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 125012947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).