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

C7H10N2O3 — CID 20648680

IUPAC2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde
SMILESCNC(C=O)c1c(C)o[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-4-6(5(3-10)8-2)7(11)9-12-4/h3,5,8H,1-2H3,(H,9,11)
InChIKeyAWPWULHVTMJIAJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.26
Rot. Bonds3

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

2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde (PubChem CID 20648680) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde
PubChem CID20648680
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde
SMILESCNC(C=O)c1c(C)o[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-4-6(5(3-10)8-2)7(11)9-12-4/h3,5,8H,1-2H3,(H,9,11)
InChIKeyAWPWULHVTMJIAJ-UHFFFAOYSA-N
XLogP-0.26
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde?
The IUPAC name of 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde (CID 20648680) is 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde is CNC(C=O)c1c(C)o[nH]c1=O.
What is the InChIKey of 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde?
The InChIKey is AWPWULHVTMJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-6(5(3-10)8-2)7(11)9-12-4/h3,5,8H,1-2H3,(H,9,11).
What are the key properties of 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde?
2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde has a molecular weight of 170.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetaldehyde is sourced from PubChem (CID 20648680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).