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

C6H6F3NO — CID 59146359

IUPAC2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)c(C)o1
InChIInChI=1S/C6H6F3NO/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3
InChIKeyIBKBPCIOFLEDMY-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.31
Rot. Bonds

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

2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 59146359) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID59146359
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)c(C)o1
InChIInChI=1S/C6H6F3NO/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3
InChIKeyIBKBPCIOFLEDMY-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole (CID 59146359) is 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is IBKBPCIOFLEDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3.
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole?
2,5-dimethyl-4-(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 2,5-dimethyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 59146359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).