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

C11H16F3N3O2 — CID 103472364

IUPAC1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(COCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)5-10(15)3-1-2-4-10/h1-7,15H2
InChIKeyFEXLKWNQHJKNBM-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.96
Rot. Bonds5

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

1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 103472364) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID103472364
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(COCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)5-10(15)3-1-2-4-10/h1-7,15H2
InChIKeyFEXLKWNQHJKNBM-UHFFFAOYSA-N
XLogP1.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64673217
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64673218
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 79953257
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 79953699
1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 82008046
1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 82008130
1-[[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 103145908
1-[[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 103145952
[1-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 103145955
1-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145975
1-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 103145987
2-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145999

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 103472364) is 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is NC1(Cc2nc(COCC(F)(F)F)no2)CCCC1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is FEXLKWNQHJKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-8-16-9(19-17-8)5-10(15)3-1-2-4-10/h1-7,15H2.
What are the key properties of 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 279.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 103472364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).