5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole

C19H14Cl2F4N2O — CID 58079827

IUPAC5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC1(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)CNC1
InChIInChI=1S/C19H14Cl2F4N2O/c20-14-5-13(6-15(21)7-14)18(19(23,24)25)8-16(27-28-18)11-1-3-12(4-2-11)17(22)9-26-10-17/h1-7,26H,8-10H2
InChIKeyDVSSNWKOASTWTL-UHFFFAOYSA-N
MW433.23 g/mol
LogP5.34
Rot. Bonds3

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

5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 58079827) has the molecular formula C19H14Cl2F4N2O and a molecular weight of 433.23 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID58079827
Molecular FormulaC19H14Cl2F4N2O
Molecular Weight433.23 g/mol
Exact Mass432.04
IUPAC Name5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC1(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)CNC1
InChIInChI=1S/C19H14Cl2F4N2O/c20-14-5-13(6-15(21)7-14)18(19(23,24)25)8-16(27-28-18)11-1-3-12(4-2-11)17(22)9-26-10-17/h1-7,26H,8-10H2
InChIKeyDVSSNWKOASTWTL-UHFFFAOYSA-N
XLogP5.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.23
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-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-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole (CID 58079827) is 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole is FC1(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)CNC1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is DVSSNWKOASTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F4N2O/c20-14-5-13(6-15(21)7-14)18(19(23,24)25)8-16(27-28-18)11-1-3-12(4-2-11)17(22)9-26-10-17/h1-7,26H,8-10H2.
What are the key properties of 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 433.23 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 58079827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).