3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole

C8H10F3NO — CID 20696773

IUPAC3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)Cc1cc(C(F)(F)F)on1
InChIInChI=1S/C8H10F3NO/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYAODZIBHROJKMR-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.89
Rot. Bonds2

About 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole

3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 20696773) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID20696773
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)Cc1cc(C(F)(F)F)on1
InChIInChI=1S/C8H10F3NO/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYAODZIBHROJKMR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole (CID 20696773) is 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole is CC(C)Cc1cc(C(F)(F)F)on1.
What is the InChIKey of 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is YAODZIBHROJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole?
3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 193.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 20696773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).