2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

C5H4F3N3O2 — CID 118570621

IUPAC2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESNC(=O)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4-11-10-3(13-4)1-2(9)12/h1H2,(H2,9,12)
InChIKeyGVVIEEUAJBAGMZ-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.12
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 118570621) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID118570621
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESNC(=O)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4-11-10-3(13-4)1-2(9)12/h1H2,(H2,9,12)
InChIKeyGVVIEEUAJBAGMZ-UHFFFAOYSA-N
XLogP0.12
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 118570621) is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is NC(=O)Cc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is GVVIEEUAJBAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)4-11-10-3(13-4)1-2(9)12/h1H2,(H2,9,12).
What are the key properties of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 195.10 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 118570621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).