5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

C19H17F4NO — CID 91222088

IUPAC5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1
InChIInChI=1S/C19H17F4NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-11,24H,3H2,1-2H3
InChIKeyYYTZQEZLNPEGHZ-UHFFFAOYSA-N
MW351.34 g/mol
LogP5.03
Rot. Bonds3

About 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole

5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 91222088) has the molecular formula C19H17F4NO and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID91222088
Molecular FormulaC19H17F4NO
Molecular Weight351.34 g/mol
Exact Mass351.12
IUPAC Name5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1
InChIInChI=1S/C19H17F4NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-11,24H,3H2,1-2H3
InChIKeyYYTZQEZLNPEGHZ-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90687880
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
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
[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

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole (CID 91222088) is 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is CCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(F)cc3)NO2)c1.
What is the InChIKey of 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is YYTZQEZLNPEGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-11,24H,3H2,1-2H3.
What are the key properties of 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole?
5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 351.34 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-5-methylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 91222088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).