2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H12F3N5O — CID 79954868

IUPAC2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1cnc[nH]1)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)2-1-8-17-9(19-18-8)7(14)3-6-4-15-5-16-6/h4-5,7H,1-3,14H2,(H,15,16)
InChIKeyNBAUQUJJTPGHRU-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.53
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79954868) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79954868
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1cnc[nH]1)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)2-1-8-17-9(19-18-8)7(14)3-6-4-15-5-16-6/h4-5,7H,1-3,14H2,(H,15,16)
InChIKeyNBAUQUJJTPGHRU-UHFFFAOYSA-N
XLogP1.53
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954731
(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894582
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79954868) is 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is NC(Cc1cnc[nH]1)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is NBAUQUJJTPGHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c11-10(12,13)2-1-8-17-9(19-18-8)7(14)3-6-4-15-5-16-6/h4-5,7H,1-3,14H2,(H,15,16).
What are the key properties of 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79954868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).