4-(trifluoromethyl)-1,2-oxazole-3-carboxamide

C5H3F3N2O2 — CID 138559843

IUPAC4-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-12-10-3(2)4(9)11/h1H,(H2,9,11)
InChIKeyCUTQSLJDBFZKOM-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.79
Rot. Bonds1

About 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide

4-(trifluoromethyl)-1,2-oxazole-3-carboxamide (PubChem CID 138559843) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-oxazole-3-carboxamide
PubChem CID138559843
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name4-(trifluoromethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-12-10-3(2)4(9)11/h1H,(H2,9,11)
InChIKeyCUTQSLJDBFZKOM-UHFFFAOYSA-N
XLogP0.79
TPSA69.12 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Isoxazolediamide
CID 67849858
3-(Trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 66829245
4-(Aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68842773
4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid
CID 68897306
N-(trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559842
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide
CID 140563195
4-(2,2,2-Trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 141281509
4-Fluoro-1,2-oxazole-3-carboxamide
CID 154036926
4-(2,2-Difluoroethyl)-1,2-oxazole-3-carboxamide
CID 156895385
4-(Trifluoromethyl)-1,2-oxazole-3-carbaldehyde
CID 174760219
N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide
CID 81340719
[4-(Trifluoromethyl)-1,2-oxazol-3-yl]methanamine
CID 150226868

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide (CID 138559843) is 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide is NC(=O)c1nocc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CUTQSLJDBFZKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-12-10-3(2)4(9)11/h1H,(H2,9,11).
What are the key properties of 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide?
4-(trifluoromethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 180.09 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138559843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).