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

C10H18N4O — CID 166099581

IUPAC(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(N2CCCC[C@@H]2C)no1
InChIInChI=1S/C10H18N4O/c1-7-5-3-4-6-14(7)10-12-9(8(2)11)15-13-10/h7-8H,3-6,11H2,1-2H3/t7-,8-/m0/s1
InChIKeyXXIJNOLHFJCMEE-YUMQZZPRSA-N
MW210.28 g/mol
LogP1.47
Rot. Bonds2

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

(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 166099581) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID166099581
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(N2CCCC[C@@H]2C)no1
InChIInChI=1S/C10H18N4O/c1-7-5-3-4-6-14(7)10-12-9(8(2)11)15-13-10/h7-8H,3-6,11H2,1-2H3/t7-,8-/m0/s1
InChIKeyXXIJNOLHFJCMEE-YUMQZZPRSA-N
XLogP1.47
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099548
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 70649668
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 166099605
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122710
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 166099581) is (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine is C[C@H](N)c1nc(N2CCCC[C@@H]2C)no1.
What is the InChIKey of (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is XXIJNOLHFJCMEE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-5-3-4-6-14(7)10-12-9(8(2)11)15-13-10/h7-8H,3-6,11H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 166099581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).