5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C10H16F3N3O — CID 79954715

IUPAC5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESNCCCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)6-5-8-15-9(17-16-8)4-2-1-3-7-14/h1-7,14H2
InChIKeyZHVKWDZEMLFOLK-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.24
Rot. Bonds7

About 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 79954715) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID79954715
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESNCCCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)6-5-8-15-9(17-16-8)4-2-1-3-7-14/h1-7,14H2
InChIKeyZHVKWDZEMLFOLK-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)-5-undecyl-1,2,4-oxadiazole
CID 11208579
2-[5-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 68752996
2-[5-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 68752997
2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 70853550
[4-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 71172939
5-Pentyl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 123669252
3-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride
CID 146193960
3-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 146193961
[4-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride
CID 159233617
5-(2-Piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 55049231
N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202622
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 61392817

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 79954715) is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is NCCCCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is ZHVKWDZEMLFOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c11-10(12,13)6-5-8-15-9(17-16-8)4-2-1-3-7-14/h1-7,14H2.
What are the key properties of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 79954715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).