1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine

C10H8F3N3O — CID 43559189

IUPAC1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ncon1)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)8(14)9-15-5-17-16-9/h1-5,8H,14H2
InChIKeyPDNCLTIQJOFLST-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.14
Rot. Bonds2

About 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine

1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43559189) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID43559189
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ncon1)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)8(14)9-15-5-17-16-9/h1-5,8H,14H2
InChIKeyPDNCLTIQJOFLST-UHFFFAOYSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine 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 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine (CID 43559189) is 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ncon1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PDNCLTIQJOFLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)8(14)9-15-5-17-16-9/h1-5,8H,14H2.
What are the key properties of 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine?
1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 243.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43559189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).