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

C17H9F3N4OS — CID 91294444

IUPAC2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole
SMILESFC(F)(F)c1csc(-c2nccc(-c3cnc(-c4ccccc4)o3)n2)n1
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)13-9-26-16(24-13)14-21-7-6-11(23-14)12-8-22-15(25-12)10-4-2-1-3-5-10/h1-9H
InChIKeyATIULGXPTAJNFG-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.94
Rot. Bonds3

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

2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole (PubChem CID 91294444) has the molecular formula C17H9F3N4OS and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole
PubChem CID91294444
Molecular FormulaC17H9F3N4OS
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC Name2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole
SMILESFC(F)(F)c1csc(-c2nccc(-c3cnc(-c4ccccc4)o3)n2)n1
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)13-9-26-16(24-13)14-21-7-6-11(23-14)12-8-22-15(25-12)10-4-2-1-3-5-10/h1-9H
InChIKeyATIULGXPTAJNFG-UHFFFAOYSA-N
XLogP4.94
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-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 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole (CID 91294444) is 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole is FC(F)(F)c1csc(-c2nccc(-c3cnc(-c4ccccc4)o3)n2)n1.
What is the InChIKey of 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole?
The InChIKey is ATIULGXPTAJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS/c18-17(19,20)13-9-26-16(24-13)14-21-7-6-11(23-14)12-8-22-15(25-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole?
2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole has a molecular weight of 374.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 91294444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).