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

C13H8FN3O — CID 44546486

IUPAC5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncnc3)no2)cc1
InChIInChI=1S/C13H8FN3O/c14-11-3-1-9(2-4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H
InChIKeySXBVTQJYCJPQHY-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.94
Rot. Bonds2

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

5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (PubChem CID 44546486) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
PubChem CID44546486
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncnc3)no2)cc1
InChIInChI=1S/C13H8FN3O/c14-11-3-1-9(2-4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H
InChIKeySXBVTQJYCJPQHY-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-3-pyrimidin-5-yl-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 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (CID 44546486) is 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is Fc1ccc(-c2cc(-c3cncnc3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The InChIKey is SXBVTQJYCJPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-11-3-1-9(2-4-11)13-5-12(17-18-13)10-6-15-8-16-7-10/h1-8H.
What are the key properties of 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole has a molecular weight of 241.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is sourced from PubChem (CID 44546486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).