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

C13H22F3N3O — CID 79965130

IUPACN-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C13H22F3N3O/c1-4-8-17-9(3)10(5-2)12-18-11(19-20-12)6-7-13(14,15)16/h9-10,17H,4-8H2,1-3H3
InChIKeyNNKZEHHSFQMSLC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.45
Rot. Bonds8

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

N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 79965130) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID79965130
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C13H22F3N3O/c1-4-8-17-9(3)10(5-2)12-18-11(19-20-12)6-7-13(14,15)16/h9-10,17H,4-8H2,1-3H3
InChIKeyNNKZEHHSFQMSLC-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-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 N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 79965130) is N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCNC(C)C(CC)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NNKZEHHSFQMSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-4-8-17-9(3)10(5-2)12-18-11(19-20-12)6-7-13(14,15)16/h9-10,17H,4-8H2,1-3H3.
What are the key properties of N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 79965130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).