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

C12H17N5O2 — CID 104894681

IUPAC(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C12H17N5O2/c13-10(5-9-6-14-7-15-9)12-16-11(17-19-12)8-1-3-18-4-2-8/h6-8,10H,1-5,13H2,(H,14,15)/t10-/m0/s1
InChIKeyZUFSNHMJKKAKND-JTQLQIEISA-N
MW263.30 g/mol
LogP0.93
Rot. Bonds4

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

(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104894681) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104894681
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C12H17N5O2/c13-10(5-9-6-14-7-15-9)12-16-11(17-19-12)8-1-3-18-4-2-8/h6-8,10H,1-5,13H2,(H,14,15)/t10-/m0/s1
InChIKeyZUFSNHMJKKAKND-JTQLQIEISA-N
XLogP0.93
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894609
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894691
(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 103832338
(1R)-1-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894658
(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 74232474
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
(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
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29273811

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104894681) is (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is N[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)no1.
What is the InChIKey of (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZUFSNHMJKKAKND-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O2/c13-10(5-9-6-14-7-15-9)12-16-11(17-19-12)8-1-3-18-4-2-8/h6-8,10H,1-5,13H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).