9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

C17H21NO3 — CID 10803206

IUPAC9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCC(C)(C)C(=O)C12OCC(C)(C)N1C(=O)c1ccccc12
InChIInChI=1S/C17H21NO3/c1-15(2,3)14(20)17-12-9-7-6-8-11(12)13(19)18(17)16(4,5)10-21-17/h6-9H,10H2,1-5H3
InChIKeyHJDGMRIDYZDAHQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds1

About 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 10803206) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID10803206
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCC(C)(C)C(=O)C12OCC(C)(C)N1C(=O)c1ccccc12
InChIInChI=1S/C17H21NO3/c1-15(2,3)14(20)17-12-9-7-6-8-11(12)13(19)18(17)16(4,5)10-21-17/h6-9H,10H2,1-5H3
InChIKeyHJDGMRIDYZDAHQ-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-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 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 10803206) is 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is CC(C)(C)C(=O)C12OCC(C)(C)N1C(=O)c1ccccc12.
What is the InChIKey of 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is HJDGMRIDYZDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-15(2,3)14(20)17-12-9-7-6-8-11(12)13(19)18(17)16(4,5)10-21-17/h6-9H,10H2,1-5H3.
What are the key properties of 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 287.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 10803206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).