N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

C8H9F3N2O2 — CID 154200133

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccon1
InChIInChI=1S/C8H9F3N2O2/c1-2-13(5-8(9,10)11)7(14)6-3-4-15-12-6/h3-4H,2,5H2,1H3
InChIKeyOVORFTXTNVLWTD-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.70
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 154200133) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
PubChem CID154200133
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccon1
InChIInChI=1S/C8H9F3N2O2/c1-2-13(5-8(9,10)11)7(14)6-3-4-15-12-6/h3-4H,2,5H2,1H3
InChIKeyOVORFTXTNVLWTD-UHFFFAOYSA-N
XLogP1.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (CID 154200133) is N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1ccon1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OVORFTXTNVLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-13(5-8(9,10)11)7(14)6-3-4-15-12-6/h3-4H,2,5H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154200133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).