3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C8H12F3NO — CID 11019757

IUPAC3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h6H,4H2,1-3H3
InChIKeyMUEOYXSIFPEMQR-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.74
Rot. Bonds

About 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11019757) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID11019757
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h6H,4H2,1-3H3
InChIKeyMUEOYXSIFPEMQR-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 11019757) is 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CC(C)(C)C1=NOC(C(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is MUEOYXSIFPEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h6H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 195.18 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11019757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).