ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate

C23H25N3O5 — CID 23122008

IUPACethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C23H25N3O5/c1-2-30-20(27)15-24-21(28)25-13-14-26-19(16-25)23(31-22(26)29,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,24,28)
InChIKeyQXPIJNQABSTIBS-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.34
Rot. Bonds5

About ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate

ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate (PubChem CID 23122008) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate
PubChem CID23122008
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Nameethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C23H25N3O5/c1-2-30-20(27)15-24-21(28)25-13-14-26-19(16-25)23(31-22(26)29,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,24,28)
InChIKeyQXPIJNQABSTIBS-UHFFFAOYSA-N
XLogP2.34
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate 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 ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate (CID 23122008) is ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1.
What is the InChIKey of ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate?
The InChIKey is QXPIJNQABSTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-2-30-20(27)15-24-21(28)25-13-14-26-19(16-25)23(31-22(26)29,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate?
ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate has a molecular weight of 423.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)amino]acetate is sourced from PubChem (CID 23122008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).