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

C7H7F3N2O3 — CID 81343681

IUPAC4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-4-2-11-15-5(4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyJXJJTPODZSTCQV-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.21
Rot. Bonds3

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

4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide (PubChem CID 81343681) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide
PubChem CID81343681
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-4-2-11-15-5(4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyJXJJTPODZSTCQV-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide (CID 81343681) is 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide?
The InChIKey is JXJJTPODZSTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-4-2-11-15-5(4)6(13)12-14-3-7(8,9)10/h2H,3H2,1H3,(H,12,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide?
4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-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 4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 81343681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).