1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C28H28FN3O3 — CID 23122066

IUPAC1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(Cc3ccccc3)(Cc3ccccc3)C2C1
InChIInChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)19-30-26(33)31-15-16-32-25(20-31)28(35-27(32)34,17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,30,33)
InChIKeyLPJISBUGVSJLBX-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.40
Rot. Bonds6

About 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 23122066) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID23122066
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(Cc3ccccc3)(Cc3ccccc3)C2C1
InChIInChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)19-30-26(33)31-15-16-32-25(20-31)28(35-27(32)34,17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,30,33)
InChIKeyLPJISBUGVSJLBX-UHFFFAOYSA-N
XLogP4.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-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 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 23122066) is 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(Cc3ccccc3)(Cc3ccccc3)C2C1.
What is the InChIKey of 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is LPJISBUGVSJLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-24-13-11-23(12-14-24)19-30-26(33)31-15-16-32-25(20-31)28(35-27(32)34,17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,30,33).
What are the key properties of 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-N-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 23122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).