3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole

C14H16F3NO — CID 91304788

IUPAC3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cc(C)c(C)c(C)c2)(C(F)(F)F)C1
InChIInChI=1S/C14H16F3NO/c1-8-5-12(6-9(2)11(8)4)13(14(15,16)17)7-10(3)18-19-13/h5-6H,7H2,1-4H3
InChIKeyGFJSWAGNYDCHSZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.17
Rot. Bonds1

About 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole

3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole (PubChem CID 91304788) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole
PubChem CID91304788
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cc(C)c(C)c(C)c2)(C(F)(F)F)C1
InChIInChI=1S/C14H16F3NO/c1-8-5-12(6-9(2)11(8)4)13(14(15,16)17)7-10(3)18-19-13/h5-6H,7H2,1-4H3
InChIKeyGFJSWAGNYDCHSZ-UHFFFAOYSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Difluoromethylidene)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 13582992
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
(5S)-3-naphthalen-2-yl-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442989
(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442990
(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 166442991
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 9880523
2-[4-[(Z)-C-butyl-N-methoxycarbonimidoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10108964
3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 58126071
5-(2-Fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 58433133
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59021166
3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 59407449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole (CID 91304788) is 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole is CC1=NOC(c2cc(C)c(C)c(C)c2)(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole?
The InChIKey is GFJSWAGNYDCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-8-5-12(6-9(2)11(8)4)13(14(15,16)17)7-10(3)18-19-13/h5-6H,7H2,1-4H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole?
3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole has a molecular weight of 271.28 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole is sourced from PubChem (CID 91304788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).