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

C11H14N4O2 — CID 155272323

IUPAC(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCc1cc(-c2noc([C@H](C)N)n2)ccn1
InChIInChI=1S/C11H14N4O2/c1-7(12)11-14-10(15-17-11)8-3-4-13-9(5-8)6-16-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1
InChIKeyDXUYRDGNAWVTGD-ZETCQYMHSA-N
MW234.26 g/mol
LogP1.30
Rot. Bonds4

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

(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 155272323) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID155272323
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCc1cc(-c2noc([C@H](C)N)n2)ccn1
InChIInChI=1S/C11H14N4O2/c1-7(12)11-14-10(15-17-11)8-3-4-13-9(5-8)6-16-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1
InChIKeyDXUYRDGNAWVTGD-ZETCQYMHSA-N
XLogP1.30
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-[2-(methylsulfonylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162767988
(1S)-1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272222
1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272225
4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
CID 136969288
1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 119948388
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 156843988
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 155272323) is (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine is COCc1cc(-c2noc([C@H](C)N)n2)ccn1.
What is the InChIKey of (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DXUYRDGNAWVTGD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(12)11-14-10(15-17-11)8-3-4-13-9(5-8)6-16-2/h3-5,7H,6,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 234.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 155272323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).