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

C17H11ClF3NO — CID 158433282

IUPAC5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(Cc2ncc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H11ClF3NO/c18-14-6-2-4-12(9-14)15-10-22-16(23-15)8-11-3-1-5-13(7-11)17(19,20)21/h1-7,9-10H,8H2
InChIKeyHBXNJSCIVARNSU-UHFFFAOYSA-N
MW337.73 g/mol
LogP5.60
Rot. Bonds3

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

5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole (PubChem CID 158433282) has the molecular formula C17H11ClF3NO and a molecular weight of 337.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
PubChem CID158433282
Molecular FormulaC17H11ClF3NO
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(Cc2ncc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H11ClF3NO/c18-14-6-2-4-12(9-14)15-10-22-16(23-15)8-11-3-1-5-13(7-11)17(19,20)21/h1-7,9-10H,8H2
InChIKeyHBXNJSCIVARNSU-UHFFFAOYSA-N
XLogP5.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.73
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole (CID 158433282) is 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole is FC(F)(F)c1cccc(Cc2ncc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The InChIKey is HBXNJSCIVARNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO/c18-14-6-2-4-12(9-14)15-10-22-16(23-15)8-11-3-1-5-13(7-11)17(19,20)21/h1-7,9-10H,8H2.
What are the key properties of 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole has a molecular weight of 337.73 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole is sourced from PubChem (CID 158433282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).