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

C11H18N2O — CID 84665659

IUPAC5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCCc1cnc(CC2CCCNC2)o1
InChIInChI=1S/C11H18N2O/c1-2-10-8-13-11(14-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3
InChIKeyNHHOTBXHTFOGSQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds3

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

5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (PubChem CID 84665659) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
PubChem CID84665659
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCCc1cnc(CC2CCCNC2)o1
InChIInChI=1S/C11H18N2O/c1-2-10-8-13-11(14-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3
InChIKeyNHHOTBXHTFOGSQ-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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Related Compounds

N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
2-(pyrrolidin-3-ylmethyl)-1,3-oxazole-5-carbaldehyde
CID 115085208
2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
CID 115085252
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638894
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
3-(3-ethyl-2-pyridinyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 82730556
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole (CID 84665659) is 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is CCc1cnc(CC2CCCNC2)o1.
What is the InChIKey of 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is NHHOTBXHTFOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10-8-13-11(14-10)6-9-4-3-5-12-7-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole?
5-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 5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84665659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).