2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole

C9H12F3NO — CID 56987972

IUPAC2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(CC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO/c1-8(2,3)7-13-5-6(14-7)4-9(10,11)12/h5H,4H2,1-3H3
InChIKeyVLCKANVAVYYFIS-UHFFFAOYSA-N
MW207.19 g/mol
LogP3.08
Rot. Bonds1

About 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole

2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 56987972) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID56987972
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(CC(F)(F)F)o1
InChIInChI=1S/C9H12F3NO/c1-8(2,3)7-13-5-6(14-7)4-9(10,11)12/h5H,4H2,1-3H3
InChIKeyVLCKANVAVYYFIS-UHFFFAOYSA-N
XLogP3.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-5-methyloxazole
CID 528403
5-Ethyl-2-methyloxazole
CID 528407
5-Methyl-2-propyloxazole
CID 529034
5-(1-Methylethyl)oxazole
CID 12214112
5-Ethyl-1,3-oxazole
CID 12214113
2-Methyl-5-propyloxazole
CID 529029
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
5-tert-Butyl-2-(chloromethyl)-1,3-oxazole
CID 12968974
5-Tert-butyl-1,3-oxazole
CID 21936462
2-(2-Methyl-1,3-oxazol-5-yl)acetonitrile
CID 44119609
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
2-(Chloromethyl)-5-ethyl-1,3-oxazole
CID 54595701

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 56987972) is 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole is CC(C)(C)c1ncc(CC(F)(F)F)o1.
What is the InChIKey of 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is VLCKANVAVYYFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-8(2,3)7-13-5-6(14-7)4-9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 207.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 56987972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).