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

C6H5F3N2O3 — CID 81340719

IUPACN-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccon1
InChIInChI=1S/C6H5F3N2O3/c7-6(8,9)3-14-11-5(12)4-1-2-13-10-4/h1-2H,3H2,(H,11,12)
InChIKeyPNDSOCUGWOREBV-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.90
Rot. Bonds3

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

N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide (PubChem CID 81340719) has the molecular formula C6H5F3N2O3 and a molecular weight of 210.11 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide
PubChem CID81340719
Molecular FormulaC6H5F3N2O3
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC NameN-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccon1
InChIInChI=1S/C6H5F3N2O3/c7-6(8,9)3-14-11-5(12)4-1-2-13-10-4/h1-2H,3H2,(H,11,12)
InChIKeyPNDSOCUGWOREBV-UHFFFAOYSA-N
XLogP0.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,2-trifluoroethoxy)-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

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide (CID 81340719) is N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide is O=C(NOCC(F)(F)F)c1ccon1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide?
The InChIKey is PNDSOCUGWOREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3/c7-6(8,9)3-14-11-5(12)4-1-2-13-10-4/h1-2H,3H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide?
N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide has a molecular weight of 210.11 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 81340719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).