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

C19H15F6NO — CID 90892788

IUPAC5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1
InChIInChI=1S/C19H15F6NO/c1-11-7-12(2)9-15(8-11)17(19(23,24)25)10-16(26-27-17)13-3-5-14(6-4-13)18(20,21)22/h3-10,26H,1-2H3
InChIKeyVOWQOZPFPQRSQW-UHFFFAOYSA-N
MW387.32 g/mol
LogP5.66
Rot. Bonds2

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

5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole (PubChem CID 90892788) has the molecular formula C19H15F6NO and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
PubChem CID90892788
Molecular FormulaC19H15F6NO
Molecular Weight387.32 g/mol
Exact Mass387.11
IUPAC Name5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1
InChIInChI=1S/C19H15F6NO/c1-11-7-12(2)9-15(8-11)17(19(23,24)25)10-16(26-27-17)13-3-5-14(6-4-13)18(20,21)22/h3-10,26H,1-2H3
InChIKeyVOWQOZPFPQRSQW-UHFFFAOYSA-N
XLogP5.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.32
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole (CID 90892788) is 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole is Cc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The InChIKey is VOWQOZPFPQRSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6NO/c1-11-7-12(2)9-15(8-11)17(19(23,24)25)10-16(26-27-17)13-3-5-14(6-4-13)18(20,21)22/h3-10,26H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole has a molecular weight of 387.32 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 90892788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).