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

C10H14N2O2 — CID 115094215

IUPAC5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCNC2)on1
InChIInChI=1S/C10H14N2O2/c13-7-9-5-10(14-12-9)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2
InChIKeyJBRLNDLEKKPQBF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

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

5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 115094215) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
PubChem CID115094215
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(CC2CCCNC2)on1
InChIInChI=1S/C10H14N2O2/c13-7-9-5-10(14-12-9)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2
InChIKeyJBRLNDLEKKPQBF-UHFFFAOYSA-N
XLogP1.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
CID 115094202
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092869
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094179
5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
5-(hydroxymethyl)-1,2-oxazole-3-carbaldehyde
CID 86044311
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde (CID 115094215) is 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde is O=Cc1cc(CC2CCCNC2)on1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is JBRLNDLEKKPQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-7-9-5-10(14-12-9)4-8-2-1-3-11-6-8/h5,7-8,11H,1-4,6H2.
What are the key properties of 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde?
5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 115094215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).