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

C6H5F3N2O2 — CID 68828531

IUPAC5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)5(12)11-6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyBLBWFIQBZOYZKU-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.23
Rot. Bonds1

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

5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 68828531) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID68828531
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)5(12)11-6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyBLBWFIQBZOYZKU-UHFFFAOYSA-N
XLogP1.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 68828531) is 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC(F)(F)F.
What is the InChIKey of 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is BLBWFIQBZOYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)5(12)11-6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 194.11 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 68828531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).