1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine

C11H19N3O — CID 119911607

IUPAC1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccon1
InChIInChI=1S/C11H19N3O/c1-9(12)11-4-2-3-6-14(11)8-10-5-7-15-13-10/h5,7,9,11H,2-4,6,8,12H2,1H3
InChIKeyLLEMYJVMFMRGAJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds3

About 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine

1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine (PubChem CID 119911607) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
PubChem CID119911607
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccon1
InChIInChI=1S/C11H19N3O/c1-9(12)11-4-2-3-6-14(11)8-10-5-7-15-13-10/h5,7,9,11H,2-4,6,8,12H2,1H3
InChIKeyLLEMYJVMFMRGAJ-UHFFFAOYSA-N
XLogP1.38
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine (CID 119911607) is 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccon1.
What is the InChIKey of 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine?
The InChIKey is LLEMYJVMFMRGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)11-4-2-3-6-14(11)8-10-5-7-15-13-10/h5,7,9,11H,2-4,6,8,12H2,1H3.
What are the key properties of 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine?
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 119911607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).