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

C8H11F2NO — CID 153449608

IUPAC5-tert-butyl-2-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(C(F)F)o1
InChIInChI=1S/C8H11F2NO/c1-8(2,3)5-4-11-7(12-5)6(9)10/h4,6H,1-3H3
InChIKeyODFFFMMLJLOCBA-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.91
Rot. Bonds1

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

5-tert-butyl-2-(difluoromethyl)-1,3-oxazole (PubChem CID 153449608) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(difluoromethyl)-1,3-oxazole
PubChem CID153449608
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-tert-butyl-2-(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(C(F)F)o1
InChIInChI=1S/C8H11F2NO/c1-8(2,3)5-4-11-7(12-5)6(9)10/h4,6H,1-3H3
InChIKeyODFFFMMLJLOCBA-UHFFFAOYSA-N
XLogP2.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.91
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
Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 11788834
5-tert-Butyl-2-(chloromethyl)-1,3-oxazole
CID 12968974
5-Tert-butyl-1,3-oxazole
CID 21936462
5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
2-(Bromomethyl)-5-tert-butyl-1,3-oxazole
CID 78961954
2-Bromo-5-tert-butyl-1,3-oxazole
CID 97627618
Potassium 5-tert-butyl-1,3-oxazole-2-carboxylate
CID 146081955
2,5-Diethyloxazole
CID 3016237

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole (CID 153449608) is 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole is CC(C)(C)c1cnc(C(F)F)o1.
What is the InChIKey of 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole?
The InChIKey is ODFFFMMLJLOCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(2,3)5-4-11-7(12-5)6(9)10/h4,6H,1-3H3.
What are the key properties of 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole?
5-tert-butyl-2-(difluoromethyl)-1,3-oxazole has a molecular weight of 175.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 153449608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).