3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one

C14H17NO3 — CID 2794083

IUPAC3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
SMILESCC(C)(C)C(=O)N1CC(=O)OC1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)13(17)15-9-11(16)18-12(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyGCCXEGMNDJLNRM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one

3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 2794083) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
PubChem CID2794083
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
SMILESCC(C)(C)C(=O)N1CC(=O)OC1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)13(17)15-9-11(16)18-12(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyGCCXEGMNDJLNRM-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-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 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one (CID 2794083) is 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one is CC(C)(C)C(=O)N1CC(=O)OC1c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is GCCXEGMNDJLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,3)13(17)15-9-11(16)18-12(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one?
3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 247.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 2794083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).