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

C16H9ClF3NO — CID 155675192

IUPAC2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H9ClF3NO/c17-13-7-3-11(4-8-13)15-21-14(9-22-15)10-1-5-12(6-2-10)16(18,19)20/h1-9H
InChIKeyQNEWEGGDHYBQBP-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.68
Rot. Bonds2

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

2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 155675192) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID155675192
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H9ClF3NO/c17-13-7-3-11(4-8-13)15-21-14(9-22-15)10-1-5-12(6-2-10)16(18,19)20/h1-9H
InChIKeyQNEWEGGDHYBQBP-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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Related Compounds

2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
4-(4-chlorophenyl)-2-iodo-1,3-oxazole
CID 102974677
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole
CID 143910178
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 155675192) is 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is QNEWEGGDHYBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-13-7-3-11(4-8-13)15-21-14(9-22-15)10-1-5-12(6-2-10)16(18,19)20/h1-9H.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-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 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 155675192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).