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

C21H19F6NO — CID 91417160

IUPAC5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESCCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1
InChIInChI=1S/C21H19F6NO/c1-3-13-9-14(4-2)11-17(10-13)19(21(25,26)27)12-18(28-29-19)15-5-7-16(8-6-15)20(22,23)24/h5-12,28H,3-4H2,1-2H3
InChIKeyPSUPCOPJVOFNFZ-UHFFFAOYSA-N
MW415.38 g/mol
LogP6.16
Rot. Bonds4

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

5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole (PubChem CID 91417160) has the molecular formula C21H19F6NO and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
PubChem CID91417160
Molecular FormulaC21H19F6NO
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESCCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1
InChIInChI=1S/C21H19F6NO/c1-3-13-9-14(4-2)11-17(10-13)19(21(25,26)27)12-18(28-29-19)15-5-7-16(8-6-15)20(22,23)24/h5-12,28H,3-4H2,1-2H3
InChIKeyPSUPCOPJVOFNFZ-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53737594
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
3-(4-fluorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90684633
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90694416
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90810848
2-fluoro-5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]benzonitrile
CID 90839371
4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]aniline
CID 90890780
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788
[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methanol
CID 90915028
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90940837

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole (CID 91417160) is 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole is CCc1cc(CC)cc(C2(C(F)(F)F)C=C(c3ccc(C(F)(F)F)cc3)NO2)c1.
What is the InChIKey of 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The InChIKey is PSUPCOPJVOFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NO/c1-3-13-9-14(4-2)11-17(10-13)19(21(25,26)27)12-18(28-29-19)15-5-7-16(8-6-15)20(22,23)24/h5-12,28H,3-4H2,1-2H3.
What are the key properties of 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole has a molecular weight of 415.38 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 91417160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).