N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine

C12H18F3N3O2 — CID 116741567

IUPACN-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCOC1(c2noc(CNCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c1-2-19-11(5-3-4-6-11)10-17-9(20-18-10)7-16-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyIQZWJYADOMKGDW-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.53
Rot. Bonds6

About N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine

N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 116741567) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID116741567
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCOC1(c2noc(CNCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c1-2-19-11(5-3-4-6-11)10-17-9(20-18-10)7-16-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyIQZWJYADOMKGDW-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

9-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 71915809
(3S)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632794
2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 119051791
2,2,2-trifluoro-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258097
2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258109
2,2,2-trifluoro-N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258111
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258184
2,2,2-trifluoro-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258193
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258194
2,2,2-trifluoro-N-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258436
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258855
2,2,2-trifluoro-N-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 80167274

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine (CID 116741567) is N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine is CCOC1(c2noc(CNCC(F)(F)F)n2)CCCC1.
What is the InChIKey of N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is IQZWJYADOMKGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-2-19-11(5-3-4-6-11)10-17-9(20-18-10)7-16-8-12(13,14)15/h16H,2-8H2,1H3.
What are the key properties of N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine?
N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 293.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 116741567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).