1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde

C10H14N2O2 — CID 62654197

IUPAC1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(Cc2cnoc2)C1
InChIInChI=1S/C10H14N2O2/c13-7-9-2-1-3-12(5-9)6-10-4-11-14-8-10/h4,7-9H,1-3,5-6H2
InChIKeyRSBDBPYJLKHUKP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds3

About 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde

1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde (PubChem CID 62654197) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde
PubChem CID62654197
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(Cc2cnoc2)C1
InChIInChI=1S/C10H14N2O2/c13-7-9-2-1-3-12(5-9)6-10-4-11-14-8-10/h4,7-9H,1-3,5-6H2
InChIKeyRSBDBPYJLKHUKP-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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Related Compounds

(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
2-methyl-2-[1-(1,2-oxazol-4-ylmethyl)piperidin-3-yl]propanoic acid
CID 83197303
1-(pyrimidin-2-ylmethyl)piperidine-3-carbaldehyde
CID 62698844
1-benzylazepane-3-carbaldehyde
CID 83910081
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63032730
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde
CID 62655137
4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 130627037
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde (CID 62654197) is 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde is O=CC1CCCN(Cc2cnoc2)C1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde?
The InChIKey is RSBDBPYJLKHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-7-9-2-1-3-12(5-9)6-10-4-11-14-8-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-(1,2-oxazol-4-ylmethyl)piperidine-3-carbaldehyde?
1-(1,2-oxazol-4-ylmethyl)piperidine-3-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-4-ylmethyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62654197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).