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

C7H8F3NO — CID 18735152

IUPAC4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1c(C(F)(F)F)noc1C
InChIInChI=1S/C7H8F3NO/c1-3-5-4(2)12-11-6(5)7(8,9)10/h3H2,1-2H3
InChIKeyZHISFAPUUIFXJD-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.56
Rot. Bonds1

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

4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 18735152) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID18735152
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1c(C(F)(F)F)noc1C
InChIInChI=1S/C7H8F3NO/c1-3-5-4(2)12-11-6(5)7(8,9)10/h3H2,1-2H3
InChIKeyZHISFAPUUIFXJD-UHFFFAOYSA-N
XLogP2.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole (CID 18735152) is 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole is CCc1c(C(F)(F)F)noc1C.
What is the InChIKey of 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is ZHISFAPUUIFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-3-5-4(2)12-11-6(5)7(8,9)10/h3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole?
4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 18735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).