(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C8H11N5O — CID 104899796

IUPAC(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C8H11N5O/c1-5(9)8-10-7(12-14-8)6-3-4-13(2)11-6/h3-5H,9H2,1-2H3/t5-/m0/s1
InChIKeyWALHFMJLGPVIQK-YFKPBYRVSA-N
MW193.21 g/mol
LogP0.49
Rot. Bonds2

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

(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104899796) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104899796
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C8H11N5O/c1-5(9)8-10-7(12-14-8)6-3-4-13(2)11-6/h3-5H,9H2,1-2H3/t5-/m0/s1
InChIKeyWALHFMJLGPVIQK-YFKPBYRVSA-N
XLogP0.49
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918052
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 65198061
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130517493

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104899796) is (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@H](N)c1nc(-c2ccn(C)n2)no1.
What is the InChIKey of (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is WALHFMJLGPVIQK-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(9)8-10-7(12-14-8)6-3-4-13(2)11-6/h3-5H,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).