4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole

C16H22N4O — CID 118066474

IUPAC4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole
SMILESCCc1cnc(N2CCC(c3nc(CC)co3)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-3-12-9-17-16(18-10-12)20-7-5-13(6-8-20)15-19-14(4-2)11-21-15/h9-11,13H,3-8H2,1-2H3
InChIKeyZCJKLRQJOXTBTG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds4

About 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole

4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole (PubChem CID 118066474) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole
PubChem CID118066474
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole
SMILESCCc1cnc(N2CCC(c3nc(CC)co3)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-3-12-9-17-16(18-10-12)20-7-5-13(6-8-20)15-19-14(4-2)11-21-15/h9-11,13H,3-8H2,1-2H3
InChIKeyZCJKLRQJOXTBTG-UHFFFAOYSA-N
XLogP2.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole (CID 118066474) is 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole is CCc1cnc(N2CCC(c3nc(CC)co3)CC2)nc1.
What is the InChIKey of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole?
The InChIKey is ZCJKLRQJOXTBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12-9-17-16(18-10-12)20-7-5-13(6-8-20)15-19-14(4-2)11-21-15/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole?
4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole has a molecular weight of 286.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 118066474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).