2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one

C7H7NO2 — CID 91081138

IUPAC2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)c1ncco1
InChIInChI=1S/C7H7NO2/c1-5(2)6(9)7-8-3-4-10-7/h3-4H,1H2,2H3
InChIKeyVAZIBPSOZJXTAE-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.43
Rot. Bonds2

About 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one

2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one (PubChem CID 91081138) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one
PubChem CID91081138
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)c1ncco1
InChIInChI=1S/C7H7NO2/c1-5(2)6(9)7-8-3-4-10-7/h3-4H,1H2,2H3
InChIKeyVAZIBPSOZJXTAE-UHFFFAOYSA-N
XLogP1.43
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one 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-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one (CID 91081138) is 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one is C=C(C)C(=O)c1ncco1.
What is the InChIKey of 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one?
The InChIKey is VAZIBPSOZJXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(2)6(9)7-8-3-4-10-7/h3-4H,1H2,2H3.
What are the key properties of 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one?
2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one has a molecular weight of 137.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 91081138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).