4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole

C8H10F3NO — CID 135028659

IUPAC4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1onc(C(F)(F)F)c1CC
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)13-12-7(5)8(9,10)11/h3-4H2,1-2H3
InChIKeyONLCRBUHLNWVPF-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.82
Rot. Bonds2

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

4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 135028659) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID135028659
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCCc1onc(C(F)(F)F)c1CC
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)13-12-7(5)8(9,10)11/h3-4H2,1-2H3
InChIKeyONLCRBUHLNWVPF-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole (CID 135028659) is 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole is CCc1onc(C(F)(F)F)c1CC.
What is the InChIKey of 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is ONLCRBUHLNWVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-5-6(4-2)13-12-7(5)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole?
4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 193.17 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 135028659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).