1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde

C10H14N2O2 — CID 62654833

IUPAC1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C10H14N2O2/c13-8-9-2-5-12(6-3-9)7-10-1-4-11-14-10/h1,4,8-9H,2-3,5-7H2
InChIKeyCYINRNOYKLMXBC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde

1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 62654833) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde
PubChem CID62654833
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C10H14N2O2/c13-8-9-2-5-12(6-3-9)7-10-1-4-11-14-10/h1,4,8-9H,2-3,5-7H2
InChIKeyCYINRNOYKLMXBC-UHFFFAOYSA-N
XLogP1.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
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 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde (CID 62654833) is 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(Cc2ccno2)CC1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is CYINRNOYKLMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-8-9-2-5-12(6-3-9)7-10-1-4-11-14-10/h1,4,8-9H,2-3,5-7H2.
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde?
1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62654833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).