2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine

C11H19N3O — CID 115085458

IUPAC2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESNCCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C11H19N3O/c12-4-1-10-8-14-11(15-10)7-9-2-5-13-6-3-9/h8-9,13H,1-7,12H2
InChIKeyOKFDDZRDRNVNMN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds4

About 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine

2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085458) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085458
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESNCCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C11H19N3O/c12-4-1-10-8-14-11(15-10)7-9-2-5-13-6-3-9/h8-9,13H,1-7,12H2
InChIKeyOKFDDZRDRNVNMN-UHFFFAOYSA-N
XLogP0.72
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine (CID 115085458) is 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine is NCCc1cnc(CC2CCNCC2)o1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is OKFDDZRDRNVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-4-1-10-8-14-11(15-10)7-9-2-5-13-6-3-9/h8-9,13H,1-7,12H2.
What are the key properties of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).