1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

C9H12F3N3O — CID 82008046

IUPAC1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(C(F)(F)F)no2)CCCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-14-6(16-15-7)5-8(13)3-1-2-4-8/h1-5,13H2
InChIKeyFIGSLAFCNZSWRD-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.90
Rot. Bonds2

About 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 82008046) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID82008046
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(C(F)(F)F)no2)CCCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-14-6(16-15-7)5-8(13)3-1-2-4-8/h1-5,13H2
InChIKeyFIGSLAFCNZSWRD-UHFFFAOYSA-N
XLogP1.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 82008046) is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is NC1(Cc2nc(C(F)(F)F)no2)CCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is FIGSLAFCNZSWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-14-6(16-15-7)5-8(13)3-1-2-4-8/h1-5,13H2.
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 82008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).