3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide

C8H6F6N2O2 — CID 537080

IUPAC3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide
SMILESCc1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C8H6F6N2O2/c1-3-2-4(16-18-3)15-6(17)5(7(9,10)11)8(12,13)14/h2,5H,1H3,(H,15,16,17)
InChIKeyARBDQPKPOWKIKG-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.66
Rot. Bonds2

About 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide (PubChem CID 537080) has the molecular formula C8H6F6N2O2 and a molecular weight of 276.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide
PubChem CID537080
Molecular FormulaC8H6F6N2O2
Molecular Weight276.14 g/mol
Exact Mass276.03
IUPAC Name3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide
SMILESCc1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)no1
InChIInChI=1S/C8H6F6N2O2/c1-3-2-4(16-18-3)15-6(17)5(7(9,10)11)8(12,13)14/h2,5H,1H3,(H,15,16,17)
InChIKeyARBDQPKPOWKIKG-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide (CID 537080) is 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide is Cc1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)no1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is ARBDQPKPOWKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O2/c1-3-2-4(16-18-3)15-6(17)5(7(9,10)11)8(12,13)14/h2,5H,1H3,(H,15,16,17).
What are the key properties of 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 276.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 537080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).