2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole

C13H15FN4O2 — CID 143796887

IUPAC2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole
SMILESCc1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1
InChIInChI=1S/C13H15FN4O2/c1-9-8-19-13(17-9)18-6-3-11(10(14)7-18)20-12-15-4-2-5-16-12/h2,4-5,8,10-11H,3,6-7H2,1H3/t10-,11+/m0/s1
InChIKeyUWBIFYZRYFNKHG-WDEREUQCSA-N
MW278.29 g/mol
LogP1.77
Rot. Bonds3

About 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole

2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole (PubChem CID 143796887) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole
PubChem CID143796887
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole
SMILESCc1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1
InChIInChI=1S/C13H15FN4O2/c1-9-8-19-13(17-9)18-6-3-11(10(14)7-18)20-12-15-4-2-5-16-12/h2,4-5,8,10-11H,3,6-7H2,1H3/t10-,11+/m0/s1
InChIKeyUWBIFYZRYFNKHG-WDEREUQCSA-N
XLogP1.77
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole (CID 143796887) is 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole is Cc1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole?
The InChIKey is UWBIFYZRYFNKHG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-9-8-19-13(17-9)18-6-3-11(10(14)7-18)20-12-15-4-2-5-16-12/h2,4-5,8,10-11H,3,6-7H2,1H3/t10-,11+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole?
2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole has a molecular weight of 278.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-4-pyrimidin-2-yloxypiperidin-1-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 143796887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).