N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C10H14F3N3O — CID 79258184

IUPACN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCC2)no1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-14-5-8-15-9(16-17-8)7-3-1-2-4-7/h7,14H,1-6H2
InChIKeyINJZLNAVFGSVPT-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.38
Rot. Bonds4

About N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79258184) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79258184
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCC2)no1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-14-5-8-15-9(16-17-8)7-3-1-2-4-7/h7,14H,1-6H2
InChIKeyINJZLNAVFGSVPT-UHFFFAOYSA-N
XLogP2.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine 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 N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 79258184) is N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1nc(C2CCCC2)no1.
What is the InChIKey of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is INJZLNAVFGSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)6-14-5-8-15-9(16-17-8)7-3-1-2-4-7/h7,14H,1-6H2.
What are the key properties of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 249.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79258184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).