2-methyl-1-(1,2-oxazol-3-yl)propan-1-one

C7H9NO2 — CID 134296437

IUPAC2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
SMILESCC(C)C(=O)c1ccon1
InChIInChI=1S/C7H9NO2/c1-5(2)7(9)6-3-4-10-8-6/h3-5H,1-2H3
InChIKeyAERUSSKTFDUGDT-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.51
Rot. Bonds2

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

2-methyl-1-(1,2-oxazol-3-yl)propan-1-one (PubChem CID 134296437) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
PubChem CID134296437
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
SMILESCC(C)C(=O)c1ccon1
InChIInChI=1S/C7H9NO2/c1-5(2)7(9)6-3-4-10-8-6/h3-5H,1-2H3
InChIKeyAERUSSKTFDUGDT-UHFFFAOYSA-N
XLogP1.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(1,2-oxazol-3-yl)propan-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

Related Compounds

N-propan-2-yloxy-1,2-oxazole-3-carboxamide
CID 130688341
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 84599289
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
1,2-oxazole-3-carboxylic acid;prop-1-ene
CID 161083029
2-fluoro-2-(2-fluorophenyl)-1-(1,2-oxazol-3-yl)ethanone
CID 87173495
N-(2-chloroethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 63393650
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
3-[ethyl(1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 62826001
24-methylpentacosyl 1,2-oxazole-3-carboxylate
CID 174907078
methyl (E)-2-(1,2-oxazol-3-yl)but-2-enoate
CID 67912409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one (CID 134296437) is 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one is CC(C)C(=O)c1ccon1.
What is the InChIKey of 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one?
The InChIKey is AERUSSKTFDUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(2)7(9)6-3-4-10-8-6/h3-5H,1-2H3.
What are the key properties of 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one?
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one has a molecular weight of 139.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2-oxazol-3-yl)propan-1-one is sourced from PubChem (CID 134296437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).