N-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C5H3F3N2O2 — CID 154073475

IUPACN-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NC(F)(F)F)c1cnco1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-9-2-12-3/h1-2H,(H,10,11)
InChIKeyDDIYLRNESQKTOX-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.92
Rot. Bonds1

About N-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 154073475) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID154073475
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC NameN-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NC(F)(F)F)c1cnco1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-9-2-12-3/h1-2H,(H,10,11)
InChIKeyDDIYLRNESQKTOX-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 154073475) is N-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(NC(F)(F)F)c1cnco1.
What is the InChIKey of N-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is DDIYLRNESQKTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-9-2-12-3/h1-2H,(H,10,11).
What are the key properties of N-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-(trifluoromethyl)-1,3-oxazole-5-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)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154073475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).