5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide

C5H5F3N2O2 — CID 175807498

IUPAC5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CC=NO1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)4(3(9)11)1-2-10-12-4/h2H,1H2,(H2,9,11)
InChIKeyIYKAWWVADJLURK-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.18
Rot. Bonds1

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

5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 175807498) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID175807498
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CC=NO1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)4(3(9)11)1-2-10-12-4/h2H,1H2,(H2,9,11)
InChIKeyIYKAWWVADJLURK-UHFFFAOYSA-N
XLogP0.18
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide (CID 175807498) is 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide is NC(=O)C1(C(F)(F)F)CC=NO1.
What is the InChIKey of 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is IYKAWWVADJLURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)4(3(9)11)1-2-10-12-4/h2H,1H2,(H2,9,11).
What are the key properties of 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide?
5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 182.10 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 175807498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).