3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine

C10H12F3N3O — CID 82007705

IUPAC3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1C2CCC(C2)C1c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9-15-8(17-16-9)6-4-1-2-5(3-4)7(6)14/h4-7H,1-3,14H2
InChIKeyITECSAMFEZEJSK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.93
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine

3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 82007705) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
PubChem CID82007705
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1C2CCC(C2)C1c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9-15-8(17-16-9)6-4-1-2-5(3-4)7(6)14/h4-7H,1-3,14H2
InChIKeyITECSAMFEZEJSK-UHFFFAOYSA-N
XLogP1.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-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 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine (CID 82007705) is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine is NC1C2CCC(C2)C1c1nc(C(F)(F)F)no1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ITECSAMFEZEJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9-15-8(17-16-9)6-4-1-2-5(3-4)7(6)14/h4-7H,1-3,14H2.
What are the key properties of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine?
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 82007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).