3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C18H9Cl3F3NOS — CID 71468944

IUPAC3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cc3c(Cl)cccc3s2)=NO1
InChIInChI=1S/C18H9Cl3F3NOS/c19-10-4-9(5-11(20)6-10)17(18(22,23)24)8-14(25-26-17)16-7-12-13(21)2-1-3-15(12)27-16/h1-7H,8H2
InChIKeyOLYJYPPMGNIUCU-UHFFFAOYSA-N
MW450.70 g/mol
LogP7.44
Rot. Bonds2

About 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 71468944) has the molecular formula C18H9Cl3F3NOS and a molecular weight of 450.70 g/mol. Its IUPAC name is 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID71468944
Molecular FormulaC18H9Cl3F3NOS
Molecular Weight450.70 g/mol
Exact Mass448.94
IUPAC Name3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cc3c(Cl)cccc3s2)=NO1
InChIInChI=1S/C18H9Cl3F3NOS/c19-10-4-9(5-11(20)6-10)17(18(22,23)24)8-14(25-26-17)16-7-12-13(21)2-1-3-15(12)27-16/h1-7H,8H2
InChIKeyOLYJYPPMGNIUCU-UHFFFAOYSA-N
XLogP7.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.70
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-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 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 71468944) is 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2cc3c(Cl)cccc3s2)=NO1.
What is the InChIKey of 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is OLYJYPPMGNIUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3NOS/c19-10-4-9(5-11(20)6-10)17(18(22,23)24)8-14(25-26-17)16-7-12-13(21)2-1-3-15(12)27-16/h1-7H,8H2.
What are the key properties of 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 450.70 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 71468944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).