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

C12H21N3O — CID 115085410

IUPAC2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(7-13)11-8-15-12(16-11)6-10-2-4-14-5-3-10/h8-10,14H,2-7,13H2,1H3
InChIKeyNYQOOSPJAWZIIZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

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

2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115085410) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115085410
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(7-13)11-8-15-12(16-11)6-10-2-4-14-5-3-10/h8-10,14H,2-7,13H2,1H3
InChIKeyNYQOOSPJAWZIIZ-UHFFFAOYSA-N
XLogP1.28
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
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]propan-1-amine?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (CID 115085410) is 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine is CC(CN)c1cnc(CC2CCNCC2)o1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is NYQOOSPJAWZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(7-13)11-8-15-12(16-11)6-10-2-4-14-5-3-10/h8-10,14H,2-7,13H2,1H3.
What are the key properties of 2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.28, 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]propan-1-amine is sourced from PubChem (CID 115085410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).