ethane;5-methyl-1,2-oxazole-4-carbaldehyde

C7H11NO2 — CID 142393524

IUPACethane;5-methyl-1,2-oxazole-4-carbaldehyde
SMILESCC.Cc1oncc1C=O
InChIInChI=1S/C5H5NO2.C2H6/c1-4-5(3-7)2-6-8-4;1-2/h2-3H,1H3;1-2H3
InChIKeyNNXHOCRHNGLHKH-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.82
Rot. Bonds1

About ethane;5-methyl-1,2-oxazole-4-carbaldehyde

ethane;5-methyl-1,2-oxazole-4-carbaldehyde (PubChem CID 142393524) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethane;5-methyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Nameethane;5-methyl-1,2-oxazole-4-carbaldehyde
PubChem CID142393524
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethane;5-methyl-1,2-oxazole-4-carbaldehyde
SMILESCC.Cc1oncc1C=O
InChIInChI=1S/C5H5NO2.C2H6/c1-4-5(3-7)2-6-8-4;1-2/h2-3H,1H3;1-2H3
InChIKeyNNXHOCRHNGLHKH-UHFFFAOYSA-N
XLogP1.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-1,2-oxazole-4-carbaldehyde 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 ethane;5-methyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of ethane;5-methyl-1,2-oxazole-4-carbaldehyde (CID 142393524) is ethane;5-methyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for ethane;5-methyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for ethane;5-methyl-1,2-oxazole-4-carbaldehyde is CC.Cc1oncc1C=O.
What is the InChIKey of ethane;5-methyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is NNXHOCRHNGLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C2H6/c1-4-5(3-7)2-6-8-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1,2-oxazole-4-carbaldehyde?
ethane;5-methyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 141.17 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 142393524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).