4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole

C11H18N2O — CID 105448341

IUPAC4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C11H18N2O/c1-2-10-8-14-11(13-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3
InChIKeyRSYABCVYNUVVGB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds3

About 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole

4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (PubChem CID 105448341) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
PubChem CID105448341
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C11H18N2O/c1-2-10-8-14-11(13-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3
InChIKeyRSYABCVYNUVVGB-UHFFFAOYSA-N
XLogP1.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (CID 105448341) is 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is CCc1coc(CC2CCCNC2)n1.
What is the InChIKey of 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is RSYABCVYNUVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10-8-14-11(13-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole has a molecular weight of 194.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 105448341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).