5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C11H11F3N4O — CID 106966393

IUPAC5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C11H11F3N4O/c1-6(15)9-17-18-10(19-9)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,15H2,1H3,(H,16,18)
InChIKeySUQJXDIUVDVNNJ-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.85
Rot. Bonds3

About 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966393) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966393
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C11H11F3N4O/c1-6(15)9-17-18-10(19-9)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,15H2,1H3,(H,16,18)
InChIKeySUQJXDIUVDVNNJ-UHFFFAOYSA-N
XLogP2.85
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 106966393) is 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(Nc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SUQJXDIUVDVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6(15)9-17-18-10(19-9)16-8-5-3-2-4-7(8)11(12,13)14/h2-6H,15H2,1H3,(H,16,18).
What are the key properties of 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 272.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).