N-(trifluoromethyl)-1,2-oxazole-3-carboxamide

C5H3F3N2O2 — CID 138559842

IUPACN-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccon1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)9-4(11)3-1-2-12-10-3/h1-2H,(H,9,11)
InChIKeyDAFXFCBVKDRFOX-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.92
Rot. Bonds1

About N-(trifluoromethyl)-1,2-oxazole-3-carboxamide

N-(trifluoromethyl)-1,2-oxazole-3-carboxamide (PubChem CID 138559842) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,2-oxazole-3-carboxamide
PubChem CID138559842
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC NameN-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccon1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)9-4(11)3-1-2-12-10-3/h1-2H,(H,9,11)
InChIKeyDAFXFCBVKDRFOX-UHFFFAOYSA-N
XLogP0.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(trifluoromethyl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1,2-Oxazole-3-carboxamide
CID 22263119
1,2-Oxazole-3-carbohydrazide
CID 54338553
N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
Isoxazole-3-hydroxamic acid
CID 61802965
N-(aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68842776
4-(Trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559843
4-Fluoro-1,2-oxazole-3-carboxamide
CID 154036926
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 154200133
1,2-Oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158761215
N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 175900992
N-(3-fluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 176235299
N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide
CID 176235344

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(trifluoromethyl)-1,2-oxazole-3-carboxamide (CID 138559842) is N-(trifluoromethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-1,2-oxazole-3-carboxamide is O=C(NC(F)(F)F)c1ccon1.
What is the InChIKey of N-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DAFXFCBVKDRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)9-4(11)3-1-2-12-10-3/h1-2H,(H,9,11).
What are the key properties of N-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
N-(trifluoromethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 180.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138559842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).