2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole

C15H7F3N2O2S — CID 146460736

IUPAC2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(-c4ncco4)n3)oc2c1
InChIInChI=1S/C15H7F3N2O2S/c16-15(17,18)9-2-1-8-5-12(22-11(8)6-9)10-7-23-14(20-10)13-19-3-4-21-13/h1-7H
InChIKeyRHKNYYMDBQBMSO-UHFFFAOYSA-N
MW336.29 g/mol
LogP5.23
Rot. Bonds2

About 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole

2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 146460736) has the molecular formula C15H7F3N2O2S and a molecular weight of 336.29 g/mol. Its IUPAC name is 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID146460736
Molecular FormulaC15H7F3N2O2S
Molecular Weight336.29 g/mol
Exact Mass336.02
IUPAC Name2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(-c4ncco4)n3)oc2c1
InChIInChI=1S/C15H7F3N2O2S/c16-15(17,18)9-2-1-8-5-12(22-11(8)6-9)10-7-23-14(20-10)13-19-3-4-21-13/h1-7H
InChIKeyRHKNYYMDBQBMSO-UHFFFAOYSA-N
XLogP5.23
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.29
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-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-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole (CID 146460736) is 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole is FC(F)(F)c1ccc2cc(-c3csc(-c4ncco4)n3)oc2c1.
What is the InChIKey of 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is RHKNYYMDBQBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O2S/c16-15(17,18)9-2-1-8-5-12(22-11(8)6-9)10-7-23-14(20-10)13-19-3-4-21-13/h1-7H.
What are the key properties of 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole?
2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 336.29 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 146460736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).