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

C6H6F3NO — CID 14639803

IUPAC4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyLJTKQNQTVFZQFT-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.31
Rot. Bonds

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

4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 14639803) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID14639803
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyLJTKQNQTVFZQFT-UHFFFAOYSA-N
XLogP2.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Butyl-4,5-dimethyloxazole
CID 522807
4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
2-(Chloromethyl)-4,5-dimethyl-1,3-oxazole
CID 15176125
3-(4,5-Dimethyl-1,3-oxazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 486289
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
5-(Chloromethyl)-2,4-dimethyl-1,3-oxazole
CID 11564492
2-Bromo-4,5-dimethyl-1,3-oxazole
CID 22087321

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole (CID 14639803) is 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LJTKQNQTVFZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 165.11 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14639803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).