5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide

C4H2F3N3O2 — CID 22661082

IUPAC5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H2F3N3O2/c5-4(6,7)3-10-9-2(12-3)1(8)11/h(H2,8,11)
InChIKeyAOTKVTMMMNXKJS-UHFFFAOYSA-N
MW181.07 g/mol
LogP0.19
Rot. Bonds1

About 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide

5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22661082) has the molecular formula C4H2F3N3O2 and a molecular weight of 181.07 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22661082
Molecular FormulaC4H2F3N3O2
Molecular Weight181.07 g/mol
Exact Mass181.01
IUPAC Name5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H2F3N3O2/c5-4(6,7)3-10-9-2(12-3)1(8)11/h(H2,8,11)
InChIKeyAOTKVTMMMNXKJS-UHFFFAOYSA-N
XLogP0.19
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22661082) is 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AOTKVTMMMNXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3O2/c5-4(6,7)3-10-9-2(12-3)1(8)11/h(H2,8,11).
What are the key properties of 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 181.07 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22661082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).