5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole

C15H10F3N3O — CID 2745750

IUPAC5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C15H10F3N3O/c1-9-19-6-5-12(20-9)14-8-13(21-22-14)10-3-2-4-11(7-10)15(16,17)18/h2-8H,1H3
InChIKeyYNVFGGBUNCDGEX-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.13
Rot. Bonds2

About 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole

5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 2745750) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID2745750
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C15H10F3N3O/c1-9-19-6-5-12(20-9)14-8-13(21-22-14)10-3-2-4-11(7-10)15(16,17)18/h2-8H,1H3
InChIKeyYNVFGGBUNCDGEX-UHFFFAOYSA-N
XLogP4.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-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-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole (CID 2745750) is 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole is Cc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1.
What is the InChIKey of 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is YNVFGGBUNCDGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9-19-6-5-12(20-9)14-8-13(21-22-14)10-3-2-4-11(7-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole?
5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 305.26 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 2745750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).