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

C13H14F3NO — CID 58126071

IUPAC3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESCC1=NOC(C)(c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C13H14F3NO/c1-8-9(2)17-18-12(8,3)10-4-6-11(7-5-10)13(14,15)16/h4-8H,1-3H3
InChIKeyUYSOTTVRUPLYAI-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.96
Rot. Bonds1

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

3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole (PubChem CID 58126071) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole.

Molecular Properties

Compound Name3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
PubChem CID58126071
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESCC1=NOC(C)(c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C13H14F3NO/c1-8-9(2)17-18-12(8,3)10-4-6-11(7-5-10)13(14,15)16/h4-8H,1-3H3
InChIKeyUYSOTTVRUPLYAI-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
CID 11821988
5-Methyl-3-phenethyl-5-phenyl-4,5-dihydroisoxazole (enantiomeric mix)
CID 46888698
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 164685193
3-Isopropyl-5-phenylisoxazoline
CID 5326289
3-Methyl-5-phenylisoxazoline
CID 11829742
5-Methyl-5-phenylisoxazoline
CID 13123756
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
(5S)-5-phenyl-5-(phenylselanylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668272
(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442988
(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 166442991

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The IUPAC name of 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole (CID 58126071) is 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole.
What is the SMILES notation for 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The canonical SMILES for 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole is CC1=NOC(C)(c2ccc(C(F)(F)F)cc2)C1C.
What is the InChIKey of 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The InChIKey is UYSOTTVRUPLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8-9(2)17-18-12(8,3)10-4-6-11(7-5-10)13(14,15)16/h4-8H,1-3H3.
What are the key properties of 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole has a molecular weight of 257.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole is sourced from PubChem (CID 58126071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).