5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide

C7H7F3N2O3 — CID 81421262

IUPAC5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-4-5(2-11-15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyZEPLHSVQSXKMQI-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.21
Rot. Bonds3

About 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide

5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide (PubChem CID 81421262) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide
PubChem CID81421262
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-4-5(2-11-15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyZEPLHSVQSXKMQI-UHFFFAOYSA-N
XLogP1.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1,2-oxazole-4-carbaldehyde
CID 15721166
5-Methylisoxazole-4-carboxamide
CID 18366019
N-(2-fluoroethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53757803
5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 53905793
N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 54291087
5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 68828531
5-(Trifluoromethyl)-1,2-oxazole-4-carbaldehyde
CID 82414768
5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide
CID 142013361
N,5-dimethyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 174299078
5-Methylisoxazole-4-carboylhydrazine
CID 16793489
4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide
CID 81343681
[5-(Trifluoromethyl)-1,2-oxazol-4-yl]methanamine
CID 83815887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide (CID 81421262) is 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide?
The InChIKey is ZEPLHSVQSXKMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-4-5(2-11-15-4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide?
5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide has a molecular weight of 224.14 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 81421262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).