1-(5-methyl-1,2-oxazol-4-yl)propan-1-one

C7H9NO2 — CID 139227081

IUPAC1-(5-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnoc1C
InChIInChI=1S/C7H9NO2/c1-3-7(9)6-4-8-10-5(6)2/h4H,3H2,1-2H3
InChIKeyKKYHMHXEVAIMSF-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.58
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one

1-(5-methyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 139227081) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID139227081
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(5-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCCC(=O)c1cnoc1C
InChIInChI=1S/C7H9NO2/c1-3-7(9)6-4-8-10-5(6)2/h4H,3H2,1-2H3
InChIKeyKKYHMHXEVAIMSF-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1,2-oxazol-4-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

1-(5-Methyl-1,2-oxazol-4-yl)ethan-1-one
CID 2764059
5-Ethyl-4-isoxazolecarboxylic acid
CID 14787247
5-(Propan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 14787249
1-(5-Cyclopropyl-1,2-oxazol-4-yl)ethan-1-one
CID 84649495
2-Chloro-1-(5-methyl-1,2-oxazol-4-yl)ethan-1-one
CID 75356442
5-Tert-butyl-1,2-oxazole-4-carbaldehyde
CID 82416974
6,7-dihydro-5H-benzo[d]isoxazol-4-one
CID 11205779
2,2,3,3,4,4,4-Heptafluoro-1-[5-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-one
CID 54342417
1-(5-Cyclohexyl-1,2-oxazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 54361787
5-Propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
CID 178571713
Benzisoxazole-4,5-dione
CID 154724058
5-(2-Fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 151920820

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one (CID 139227081) is 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one is CCC(=O)c1cnoc1C.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is KKYHMHXEVAIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-7(9)6-4-8-10-5(6)2/h4H,3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one?
1-(5-methyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 139.15 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 139227081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).