5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde

C12H18N2O2 — CID 115094179

IUPAC5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
SMILESCCN1CCCCC1Cc1cc(C=O)no1
InChIInChI=1S/C12H18N2O2/c1-2-14-6-4-3-5-11(14)8-12-7-10(9-15)13-16-12/h7,9,11H,2-6,8H2,1H3
InChIKeyUPPGPMHPWCZICS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

About 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde

5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde (PubChem CID 115094179) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
PubChem CID115094179
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
SMILESCCN1CCCCC1Cc1cc(C=O)no1
InChIInChI=1S/C12H18N2O2/c1-2-14-6-4-3-5-11(14)8-12-7-10(9-15)13-16-12/h7,9,11H,2-6,8H2,1H3
InChIKeyUPPGPMHPWCZICS-UHFFFAOYSA-N
XLogP1.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
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

5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094138
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115079772
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
1,2-diethylpiperidine
CID 19604037
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086140
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde (CID 115094179) is 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde is CCN1CCCCC1Cc1cc(C=O)no1.
What is the InChIKey of 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde?
The InChIKey is UPPGPMHPWCZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14-6-4-3-5-11(14)8-12-7-10(9-15)13-16-12/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde?
5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 115094179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).