2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde

C11H16N2O2 — CID 115084673

IUPAC2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde
SMILESO=CCc1coc(CCN2CCCC2)n1
InChIInChI=1S/C11H16N2O2/c14-8-4-10-9-15-11(12-10)3-7-13-5-1-2-6-13/h8-9H,1-7H2
InChIKeyXVGACEYVQNGLQX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.05
Rot. Bonds5

About 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde (PubChem CID 115084673) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde
PubChem CID115084673
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde
SMILESO=CCc1coc(CCN2CCCC2)n1
InChIInChI=1S/C11H16N2O2/c14-8-4-10-9-15-11(12-10)3-7-13-5-1-2-6-13/h8-9H,1-7H2
InChIKeyXVGACEYVQNGLQX-UHFFFAOYSA-N
XLogP1.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde (CID 115084673) is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde is O=CCc1coc(CCN2CCCC2)n1.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde?
The InChIKey is XVGACEYVQNGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-4-10-9-15-11(12-10)3-7-13-5-1-2-6-13/h8-9H,1-7H2.
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde?
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde is sourced from PubChem (CID 115084673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).