3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole

C13H6F3N3O — CID 44546418

IUPAC3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cc(-c3cncnc3)no2)cc(F)c1F
InChIInChI=1S/C13H6F3N3O/c14-9-1-7(2-10(15)13(9)16)12-3-11(19-20-12)8-4-17-6-18-5-8/h1-6H
InChIKeyZQGFMIFWBWBLDM-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.22
Rot. Bonds2

About 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole

3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole (PubChem CID 44546418) has the molecular formula C13H6F3N3O and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole
PubChem CID44546418
Molecular FormulaC13H6F3N3O
Molecular Weight277.20 g/mol
Exact Mass277.05
IUPAC Name3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cc(-c3cncnc3)no2)cc(F)c1F
InChIInChI=1S/C13H6F3N3O/c14-9-1-7(2-10(15)13(9)16)12-3-11(19-20-12)8-4-17-6-18-5-8/h1-6H
InChIKeyZQGFMIFWBWBLDM-UHFFFAOYSA-N
XLogP3.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole 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 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The IUPAC name of 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole (CID 44546418) is 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole is Fc1cc(-c2cc(-c3cncnc3)no2)cc(F)c1F.
What is the InChIKey of 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
The InChIKey is ZQGFMIFWBWBLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O/c14-9-1-7(2-10(15)13(9)16)12-3-11(19-20-12)8-4-17-6-18-5-8/h1-6H.
What are the key properties of 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole?
3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole has a molecular weight of 277.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole is sourced from PubChem (CID 44546418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).