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

C6H8N2O3 — CID 115080406

IUPAC2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(CCO)no1
InChIInChI=1S/C6H8N2O3/c9-3-1-5-7-6(2-4-10)11-8-5/h4,9H,1-3H2
InChIKeyRTODKADTOMKVOD-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.65
Rot. Bonds4

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

2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde (PubChem CID 115080406) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
PubChem CID115080406
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(CCO)no1
InChIInChI=1S/C6H8N2O3/c9-3-1-5-7-6(2-4-10)11-8-5/h4,9H,1-3H2
InChIKeyRTODKADTOMKVOD-UHFFFAOYSA-N
XLogP-0.65
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080623
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080575
2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080556
2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826986
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827027
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
2-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde (CID 115080406) is 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde is O=CCc1nc(CCO)no1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
The InChIKey is RTODKADTOMKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-3-1-5-7-6(2-4-10)11-8-5/h4,9H,1-3H2.
What are the key properties of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde?
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde has a molecular weight of 156.14 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115080406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).