2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde

C10H15N3O3 — CID 115080623

IUPAC2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(CCN2CCOCC2)no1
InChIInChI=1S/C10H15N3O3/c14-6-2-10-11-9(12-16-10)1-3-13-4-7-15-8-5-13/h6H,1-5,7-8H2
InChIKeyQBVCTKAPEHWPPP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.31
Rot. Bonds5

About 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde

2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde (PubChem CID 115080623) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
PubChem CID115080623
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(CCN2CCOCC2)no1
InChIInChI=1S/C10H15N3O3/c14-6-2-10-11-9(12-16-10)1-3-13-4-7-15-8-5-13/h6H,1-5,7-8H2
InChIKeyQBVCTKAPEHWPPP-UHFFFAOYSA-N
XLogP-0.31
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115080018
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080406
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
2-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carbaldehyde
CID 115084695
N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079506
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29259012
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753093
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde (CID 115080623) is 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde is O=CCc1nc(CCN2CCOCC2)no1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The InChIKey is QBVCTKAPEHWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-6-2-10-11-9(12-16-10)1-3-13-4-7-15-8-5-13/h6H,1-5,7-8H2.
What are the key properties of 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde has a molecular weight of 225.25 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).