1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine

C12H12F3N3O — CID 115081520

IUPAC1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(18-19-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyNRUKIGBNGYJADR-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.65
Rot. Bonds3

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

1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 115081520) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID115081520
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(18-19-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyNRUKIGBNGYJADR-UHFFFAOYSA-N
XLogP2.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 115081520) is 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)Cc1nc(-c2ccccc2C(F)(F)F)no1.
What is the InChIKey of 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is NRUKIGBNGYJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(18-19-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 271.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115081520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).