5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole

C17H11ClF3NOS — CID 2744286

IUPAC5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H11ClF3NOS/c18-14-7-3-12(4-8-14)15-9-22-16(23-15)24-10-11-1-5-13(6-2-11)17(19,20)21/h1-9H,10H2
InChIKeyMRUWAIFSAMGQJZ-UHFFFAOYSA-N
MW369.80 g/mol
LogP6.31
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole

5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole (PubChem CID 2744286) has the molecular formula C17H11ClF3NOS and a molecular weight of 369.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole
PubChem CID2744286
Molecular FormulaC17H11ClF3NOS
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H11ClF3NOS/c18-14-7-3-12(4-8-14)15-9-22-16(23-15)24-10-11-1-5-13(6-2-11)17(19,20)21/h1-9H,10H2
InChIKeyMRUWAIFSAMGQJZ-UHFFFAOYSA-N
XLogP6.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole (CID 2744286) is 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole is FC(F)(F)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole?
The InChIKey is MRUWAIFSAMGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NOS/c18-14-7-3-12(4-8-14)15-9-22-16(23-15)24-10-11-1-5-13(6-2-11)17(19,20)21/h1-9H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole has a molecular weight of 369.80 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 2744286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).