4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole

C11H20N2O — CID 84667116

IUPAC4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(CC2CCCCN2)=N1
InChIInChI=1S/C11H20N2O/c1-2-9-8-14-11(13-9)7-10-5-3-4-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyZAJMYCHSWKERBS-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds3

About 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole

4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 84667116) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID84667116
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(CC2CCCCN2)=N1
InChIInChI=1S/C11H20N2O/c1-2-9-8-14-11(13-9)7-10-5-3-4-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyZAJMYCHSWKERBS-UHFFFAOYSA-N
XLogP1.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpiperidine;hydrobromide
CID 131717239
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4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
8-ethyl-1,7-diazacyclopentadecane
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3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
CID 84734264
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 84667116) is 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole is CCC1COC(CC2CCCCN2)=N1.
What is the InChIKey of 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZAJMYCHSWKERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-9-8-14-11(13-9)7-10-5-3-4-6-12-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 196.29 g/mol, XLogP of 1.73, 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-2-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 84667116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).