N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C25H21F2N3O3 — CID 23121884

IUPACN-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C25H21F2N3O3/c26-19-11-12-21(20(27)15-19)28-23(31)29-13-14-30-22(16-29)25(33-24(30)32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14,16H2,(H,28,31)
InChIKeyFXBVEZMZSGHYEJ-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.58
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 23121884) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID23121884
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C25H21F2N3O3/c26-19-11-12-21(20(27)15-19)28-23(31)29-13-14-30-22(16-29)25(33-24(30)32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14,16H2,(H,28,31)
InChIKeyFXBVEZMZSGHYEJ-UHFFFAOYSA-N
XLogP4.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide 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 N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 23121884) is N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is FXBVEZMZSGHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-19-11-12-21(20(27)15-19)28-23(31)29-13-14-30-22(16-29)25(33-24(30)32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14,16H2,(H,28,31).
What are the key properties of N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 23121884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).