2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H8F3N3O3 — CID 79258688

IUPAC2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)CC(F)(F)F
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)3-13(2-6(14)15)1-5-11-4-16-12-5/h4H,1-3H2,(H,14,15)
InChIKeyLNNTVEFWIZRXPQ-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.52
Rot. Bonds5

About 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258688) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258688
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)CC(F)(F)F
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)3-13(2-6(14)15)1-5-11-4-16-12-5/h4H,1-3H2,(H,14,15)
InChIKeyLNNTVEFWIZRXPQ-UHFFFAOYSA-N
XLogP0.52
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258688) is 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1ncon1)CC(F)(F)F.
What is the InChIKey of 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LNNTVEFWIZRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c8-7(9,10)3-13(2-6(14)15)1-5-11-4-16-12-5/h4H,1-3H2,(H,14,15).
What are the key properties of 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 239.15 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).