2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol

C10H12N4O2 — CID 63554853

IUPAC2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCc1cccc(-c2noc(C(N)CO)n2)n1
InChIInChI=1S/C10H12N4O2/c1-6-3-2-4-8(12-6)9-13-10(16-14-9)7(11)5-15/h2-4,7,15H,5,11H2,1H3
InChIKeyXQQXWTRBXIQDCX-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.43
Rot. Bonds3

About 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol

2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63554853) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63554853
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCc1cccc(-c2noc(C(N)CO)n2)n1
InChIInChI=1S/C10H12N4O2/c1-6-3-2-4-8(12-6)9-13-10(16-14-9)7(11)5-15/h2-4,7,15H,5,11H2,1H3
InChIKeyXQQXWTRBXIQDCX-UHFFFAOYSA-N
XLogP0.43
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65221932
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739
(2S)-2-amino-2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104916032
(2S)-2-amino-2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103083198
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63554406

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63554853) is 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is Cc1cccc(-c2noc(C(N)CO)n2)n1.
What is the InChIKey of 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is XQQXWTRBXIQDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-3-2-4-8(12-6)9-13-10(16-14-9)7(11)5-15/h2-4,7,15H,5,11H2,1H3.
What are the key properties of 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 220.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63554853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).