[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C13H13FN4O3 — CID 122160225

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H13FN4O3/c14-9-6-15-13(16-7-9)20-10-2-1-5-18(8-10)12(19)11-3-4-17-21-11/h3-4,6-7,10H,1-2,5,8H2
InChIKeyIWXOFNFHUNYAIB-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.29
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 122160225) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID122160225
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H13FN4O3/c14-9-6-15-13(16-7-9)20-10-2-1-5-18(8-10)12(19)11-3-4-17-21-11/h3-4,6-7,10H,1-2,5,8H2
InChIKeyIWXOFNFHUNYAIB-UHFFFAOYSA-N
XLogP1.29
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 122267223
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 122160225) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is IWXOFNFHUNYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-9-6-15-13(16-7-9)20-10-2-1-5-18(8-10)12(19)11-3-4-17-21-11/h3-4,6-7,10H,1-2,5,8H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 292.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 122160225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).