5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide

C8H10F3N3O2 — CID 69354252

IUPAC5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide
SMILESCC(NCC(F)(F)F)c1cnc(C(N)=O)o1
InChIInChI=1S/C8H10F3N3O2/c1-4(14-3-8(9,10)11)5-2-13-7(16-5)6(12)15/h2,4,14H,3H2,1H3,(H2,12,15)
InChIKeyYFRHFBYPELHDDL-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.99
Rot. Bonds4

About 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide

5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide (PubChem CID 69354252) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide
PubChem CID69354252
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide
SMILESCC(NCC(F)(F)F)c1cnc(C(N)=O)o1
InChIInChI=1S/C8H10F3N3O2/c1-4(14-3-8(9,10)11)5-2-13-7(16-5)6(12)15/h2,4,14H,3H2,1H3,(H2,12,15)
InChIKeyYFRHFBYPELHDDL-UHFFFAOYSA-N
XLogP0.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide (CID 69354252) is 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide is CC(NCC(F)(F)F)c1cnc(C(N)=O)o1.
What is the InChIKey of 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide?
The InChIKey is YFRHFBYPELHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(14-3-8(9,10)11)5-2-13-7(16-5)6(12)15/h2,4,14H,3H2,1H3,(H2,12,15).
What are the key properties of 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide?
5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 69354252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).