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

C7H10F3NO — CID 118604393

IUPAC3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCC1=NOC(C)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-3-5-4-6(2,12-11-5)7(8,9)10/h3-4H2,1-2H3
InChIKeyKVNFFXSPNHUMAF-UHFFFAOYSA-N
MW181.16 g/mol
LogP2.49
Rot. Bonds1

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

3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 118604393) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID118604393
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCC1=NOC(C)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-3-5-4-6(2,12-11-5)7(8,9)10/h3-4H2,1-2H3
InChIKeyKVNFFXSPNHUMAF-UHFFFAOYSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 118604393) is 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is CCC1=NOC(C)(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is KVNFFXSPNHUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-5-4-6(2,12-11-5)7(8,9)10/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 181.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 118604393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).