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

C12H20F3N3O — CID 79954209

IUPAC3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCC(CCN)CCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-2-9(6-8-16)3-4-11-17-10(18-19-11)5-7-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyRTYVVOWQRJAXAQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.87
Rot. Bonds8

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

3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 79954209) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID79954209
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCC(CCN)CCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-2-9(6-8-16)3-4-11-17-10(18-19-11)5-7-12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyRTYVVOWQRJAXAQ-UHFFFAOYSA-N
XLogP2.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 79954209) is 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCC(CCN)CCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is RTYVVOWQRJAXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-2-9(6-8-16)3-4-11-17-10(18-19-11)5-7-12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 79954209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).