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

C19H9Cl2F3N2OS — CID 2745559

IUPAC3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1
InChIInChI=1S/C19H9Cl2F3N2OS/c20-12-5-6-13(14(21)7-12)15-8-17(27-26-15)16-9-28-18(25-16)10-1-3-11(4-2-10)19(22,23)24/h1-9H
InChIKeyABJFUYPOVATWJD-UHFFFAOYSA-N
MW441.26 g/mol
LogP7.46
Rot. Bonds3

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

3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 2745559) has the molecular formula C19H9Cl2F3N2OS and a molecular weight of 441.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID2745559
Molecular FormulaC19H9Cl2F3N2OS
Molecular Weight441.26 g/mol
Exact Mass439.98
IUPAC Name3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1
InChIInChI=1S/C19H9Cl2F3N2OS/c20-12-5-6-13(14(21)7-12)15-8-17(27-26-15)16-9-28-18(25-16)10-1-3-11(4-2-10)19(22,23)24/h1-9H
InChIKeyABJFUYPOVATWJD-UHFFFAOYSA-N
XLogP7.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.26
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole (CID 2745559) is 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is FC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is ABJFUYPOVATWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F3N2OS/c20-12-5-6-13(14(21)7-12)15-8-17(27-26-15)16-9-28-18(25-16)10-1-3-11(4-2-10)19(22,23)24/h1-9H.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole?
3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 441.26 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 2745559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).