1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one

C25H27FN2O3 — CID 124988391

IUPAC1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C25H27FN2O3/c1-25(2,31-21-12-10-20(26)11-13-21)24(29)28-14-6-9-19(17-28)23-27-16-22(30-23)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15,17H2,1-2H3/t19-/m1/s1
InChIKeyOMOLHAXLFCXFEX-LJQANCHMSA-N
MW422.50 g/mol
LogP4.97
Rot. Bonds6

About 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one

1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one (PubChem CID 124988391) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
PubChem CID124988391
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C25H27FN2O3/c1-25(2,31-21-12-10-20(26)11-13-21)24(29)28-14-6-9-19(17-28)23-27-16-22(30-23)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15,17H2,1-2H3/t19-/m1/s1
InChIKeyOMOLHAXLFCXFEX-LJQANCHMSA-N
XLogP4.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 125018171
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124990410
1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 110120000
1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 110119807
2-(4-fluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124960666
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124948495
4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 110120079
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one (CID 124988391) is 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one is CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one?
The InChIKey is OMOLHAXLFCXFEX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-25(2,31-21-12-10-20(26)11-13-21)24(29)28-14-6-9-19(17-28)23-27-16-22(30-23)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15,17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one?
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one has a molecular weight of 422.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one is sourced from PubChem (CID 124988391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).