N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide

C6H5F3N2O2 — CID 126997794

IUPACN-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccno1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-11-13-4/h1-2H,3H2,(H,10,12)
InChIKeyRDBMMAPWPPXRPL-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.97
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide

N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (PubChem CID 126997794) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
PubChem CID126997794
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC NameN-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccno1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-11-13-4/h1-2H,3H2,(H,10,12)
InChIKeyRDBMMAPWPPXRPL-UHFFFAOYSA-N
XLogP0.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (CID 126997794) is N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is O=C(NCC(F)(F)F)c1ccno1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RDBMMAPWPPXRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-11-13-4/h1-2H,3H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 194.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126997794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).