2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde

C5H6N2O3 — CID 83826272

IUPAC2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde
SMILESCc1nn(CC=O)c(=O)o1
InChIInChI=1S/C5H6N2O3/c1-4-6-7(2-3-8)5(9)10-4/h3H,2H2,1H3
InChIKeyXSMJODNBQYXAAP-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.66
Rot. Bonds2

About 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde

2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde (PubChem CID 83826272) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde
PubChem CID83826272
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde
SMILESCc1nn(CC=O)c(=O)o1
InChIInChI=1S/C5H6N2O3/c1-4-6-7(2-3-8)5(9)10-4/h3H,2H2,1H3
InChIKeyXSMJODNBQYXAAP-UHFFFAOYSA-N
XLogP-0.66
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde (CID 83826272) is 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde is Cc1nn(CC=O)c(=O)o1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde?
The InChIKey is XSMJODNBQYXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-4-6-7(2-3-8)5(9)10-4/h3H,2H2,1H3.
What are the key properties of 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde?
2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde has a molecular weight of 142.11 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetaldehyde is sourced from PubChem (CID 83826272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).