5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

C14H12F3NO3 — CID 10804075

IUPAC5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1(C)Cc2ccc(C(F)(F)F)cc2C2OC(=O)C(=O)N21
InChIInChI=1S/C14H12F3NO3/c1-13(2)6-7-3-4-8(14(15,16)17)5-9(7)11-18(13)10(19)12(20)21-11/h3-5,11H,6H2,1-2H3
InChIKeyNHCFYMKHRUYQMW-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.42
Rot. Bonds

About 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 10804075) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID10804075
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1(C)Cc2ccc(C(F)(F)F)cc2C2OC(=O)C(=O)N21
InChIInChI=1S/C14H12F3NO3/c1-13(2)6-7-3-4-8(14(15,16)17)5-9(7)11-18(13)10(19)12(20)21-11/h3-5,11H,6H2,1-2H3
InChIKeyNHCFYMKHRUYQMW-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione 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 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 10804075) is 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is CC1(C)Cc2ccc(C(F)(F)F)cc2C2OC(=O)C(=O)N21.
What is the InChIKey of 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is NHCFYMKHRUYQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-13(2)6-7-3-4-8(14(15,16)17)5-9(7)11-18(13)10(19)12(20)21-11/h3-5,11H,6H2,1-2H3.
What are the key properties of 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 299.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 10804075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).