4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole

C13H12F3NO — CID 163606669

IUPAC4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
SMILESCCc1coc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3NO/c1-2-11-8-18-12(17-11)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8H,2,7H2,1H3
InChIKeyHCJZIOFNFKIYDM-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.85
Rot. Bonds3

About 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole

4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole (PubChem CID 163606669) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
PubChem CID163606669
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
SMILESCCc1coc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3NO/c1-2-11-8-18-12(17-11)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8H,2,7H2,1H3
InChIKeyHCJZIOFNFKIYDM-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]benzonitrile
CID 157158460
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one
CID 69193346
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole (CID 163606669) is 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole is CCc1coc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
The InChIKey is HCJZIOFNFKIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-2-11-8-18-12(17-11)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole?
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole has a molecular weight of 255.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole is sourced from PubChem (CID 163606669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).