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

C16H9ClF3NO — CID 139215073

IUPAC3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H9ClF3NO/c17-13-7-3-10(4-8-13)14-9-15(22-21-14)11-1-5-12(6-2-11)16(18,19)20/h1-9H
InChIKeyZBXVCWMUNCWVMU-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.68
Rot. Bonds2

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

3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 139215073) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID139215073
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H9ClF3NO/c17-13-7-3-10(4-8-13)14-9-15(22-21-14)11-1-5-12(6-2-11)16(18,19)20/h1-9H
InChIKeyZBXVCWMUNCWVMU-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

5-(4-chlorophenyl)-3-(5-chloro-3-pyridinyl)-1,2-oxazole
CID 44545539
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
CID 19596592
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-2,2,2-trifluoroacetamide
CID 13035540
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 5173035

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 139215073) is 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is ZBXVCWMUNCWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-13-7-3-10(4-8-13)14-9-15(22-21-14)11-1-5-12(6-2-11)16(18,19)20/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-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 3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 139215073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).