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

C20H19FN4O2 — CID 124957841

IUPAC[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN4O2/c21-15-7-5-14(6-8-15)12-16-13-24-19(27-16)17-4-1-2-11-25(17)20(26)18-22-9-3-10-23-18/h3,5-10,13,17H,1-2,4,11-12H2/t17-/m1/s1
InChIKeyGBRSXZOATKKZPW-QGZVFWFLSA-N
MW366.40 g/mol
LogP3.56
Rot. Bonds4

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

[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 124957841) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID124957841
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN4O2/c21-15-7-5-14(6-8-15)12-16-13-24-19(27-16)17-4-1-2-11-25(17)20(26)18-22-9-3-10-23-18/h3,5-10,13,17H,1-2,4,11-12H2/t17-/m1/s1
InChIKeyGBRSXZOATKKZPW-QGZVFWFLSA-N
XLogP3.56
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124972208
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 124976695
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454478
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454479
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124954588
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 110121418
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124990775
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124978238
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124952519

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 124957841) is [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is GBRSXZOATKKZPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-7-5-14(6-8-15)12-16-13-24-19(27-16)17-4-1-2-11-25(17)20(26)18-22-9-3-10-23-18/h3,5-10,13,17H,1-2,4,11-12H2/t17-/m1/s1.
What are the key properties of [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 366.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 124957841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).