2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

C16H19FN4O3 — CID 122160238

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)6-15(22)21-5-3-4-13(9-21)23-16-18-7-12(17)8-19-16/h7-8,13H,3-6,9H2,1-2H3
InChIKeyOMAXOCZQYBWRGW-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.83
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122160238) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID122160238
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)6-15(22)21-5-3-4-13(9-21)23-16-18-7-12(17)8-19-16/h7-8,13H,3-6,9H2,1-2H3
InChIKeyOMAXOCZQYBWRGW-UHFFFAOYSA-N
XLogP1.83
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (CID 122160238) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is OMAXOCZQYBWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)6-15(22)21-5-3-4-13(9-21)23-16-18-7-12(17)8-19-16/h7-8,13H,3-6,9H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 334.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122160238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).