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

C16H9ClF3NO — CID 166451205

IUPAC4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1noc(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3NO/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)22-21-15(13)16(18,19)20/h1-9H
InChIKeyOAEUYMPYECIWJF-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.68
Rot. Bonds2

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

4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 166451205) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID166451205
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1noc(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3NO/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)22-21-15(13)16(18,19)20/h1-9H
InChIKeyOAEUYMPYECIWJF-UHFFFAOYSA-N
XLogP5.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole (CID 166451205) is 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1noc(-c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is OAEUYMPYECIWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)22-21-15(13)16(18,19)20/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole?
4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 323.70 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 166451205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).