2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C15H18F3NO — CID 58381263

IUPAC2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H18F3NO/c1-5-10-7-11(15(16,17)18)6-9(2)12(10)13-19-14(3,4)8-20-13/h6-7H,5,8H2,1-4H3
InChIKeyMXJZMOOZZAKKCP-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.13
Rot. Bonds2

About 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 58381263) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID58381263
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H18F3NO/c1-5-10-7-11(15(16,17)18)6-9(2)12(10)13-19-14(3,4)8-20-13/h6-7H,5,8H2,1-4H3
InChIKeyMXJZMOOZZAKKCP-UHFFFAOYSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 58381263) is 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is MXJZMOOZZAKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-5-10-7-11(15(16,17)18)6-9(2)12(10)13-19-14(3,4)8-20-13/h6-7H,5,8H2,1-4H3.
What are the key properties of 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 285.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 58381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).