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

C5H5F3N3O- — CID 154498823

IUPAC2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide
SMILES[NH-]CCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H5F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h9H,1-2H2/q-1
InChIKeyGKMHBIYBMKOYAL-UHFFFAOYSA-N
MW180.11 g/mol
LogP1.68
Rot. Bonds2

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

2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide (PubChem CID 154498823) has the molecular formula C5H5F3N3O- and a molecular weight of 180.11 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide
PubChem CID154498823
Molecular FormulaC5H5F3N3O-
Molecular Weight180.11 g/mol
Exact Mass180.04
IUPAC Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide
SMILES[NH-]CCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H5F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h9H,1-2H2/q-1
InChIKeyGKMHBIYBMKOYAL-UHFFFAOYSA-N
XLogP1.68
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 55264118
2-[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58687551
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-(Azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 105446626
2-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 118570621
2-(Azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169273849
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069890
[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070926
2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070942
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide (CID 154498823) is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide is [NH-]CCc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide?
The InChIKey is GKMHBIYBMKOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h9H,1-2H2/q-1.
What are the key properties of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide?
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide has a molecular weight of 180.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide is sourced from PubChem (CID 154498823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).