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

C10H14F3N3O — CID 113483638

IUPAC2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCC1CCCC1(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-2-6-4-3-5-9(6,14)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyZGYQAJUMMBBKGA-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.45
Rot. Bonds2

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

2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 113483638) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID113483638
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCC1CCCC1(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-2-6-4-3-5-9(6,14)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyZGYQAJUMMBBKGA-UHFFFAOYSA-N
XLogP2.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 43559358
1-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 43559605
1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
CID 17451171
1-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
CID 72154818
1-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)cyclopentanamine
CID 43559946
1-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 43559952
N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 75526034
(1S,3S)-1,2,2-trimethyl-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentan-1-amine;hydrochloride
CID 57518678
(1S,3S)-1,2,2-trimethyl-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentan-1-amine
CID 57518679
3-(3,3-Difluorocyclopentyl)-5-methyl-1,2,4-oxadiazole
CID 117794612
3-[(3,3-Difluorocyclopentyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 129238938
3-[(3,3-Difluorocyclopentyl)methyl]-5-methyl-1,2,4-oxadiazole;ethane
CID 144465202

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 113483638) is 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCC1CCCC1(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZGYQAJUMMBBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-6-4-3-5-9(6,14)7-15-8(17-16-7)10(11,12)13/h6H,2-5,14H2,1H3.
What are the key properties of 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 113483638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).