1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one

C15H19NO2 — CID 10634115

IUPAC1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-5-12(17)11-8-6-7-10(2)13(11)14-16-15(3,4)9-18-14/h6-8H,5,9H2,1-4H3
InChIKeyGWSLWTJYOTXBNV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one

1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one (PubChem CID 10634115) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one
PubChem CID10634115
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-5-12(17)11-8-6-7-10(2)13(11)14-16-15(3,4)9-18-14/h6-8H,5,9H2,1-4H3
InChIKeyGWSLWTJYOTXBNV-UHFFFAOYSA-N
XLogP3.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one?
The IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one (CID 10634115) is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one?
The canonical SMILES for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one is CCC(=O)c1cccc(C)c1C1=NC(C)(C)CO1.
What is the InChIKey of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one?
The InChIKey is GWSLWTJYOTXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-12(17)11-8-6-7-10(2)13(11)14-16-15(3,4)9-18-14/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one?
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]propan-1-one is sourced from PubChem (CID 10634115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).