7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C27H25FN2O3 — CID 44560591

IUPAC7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(CCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C27H25FN2O3/c28-23-14-11-20(12-15-23)13-16-25(31)29-17-18-30-24(19-29)27(33-26(30)32,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2
InChIKeyZZMCHDUEXCXPDG-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.37
Rot. Bonds5

About 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 44560591) has the molecular formula C27H25FN2O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID44560591
Molecular FormulaC27H25FN2O3
Molecular Weight444.51 g/mol
Exact Mass444.18
IUPAC Name7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(CCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C27H25FN2O3/c28-23-14-11-20(12-15-23)13-16-25(31)29-17-18-30-24(19-29)27(33-26(30)32,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2
InChIKeyZZMCHDUEXCXPDG-UHFFFAOYSA-N
XLogP4.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-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 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 44560591) is 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(CCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1.
What is the InChIKey of 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is ZZMCHDUEXCXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3/c28-23-14-11-20(12-15-23)13-16-25(31)29-17-18-30-24(19-29)27(33-26(30)32,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2.
What are the key properties of 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 444.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-fluorophenyl)propanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 44560591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).