5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one

C10H12N4O2 — CID 136812623

IUPAC5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(CCN)no2)c[nH]1
InChIInChI=1S/C10H12N4O2/c1-6-4-8(15)7(5-12-6)10-13-9(2-3-11)14-16-10/h4-5H,2-3,11H2,1H3,(H,12,15)
InChIKeyLUVHFTJXCAMJII-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.23
Rot. Bonds3

About 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one

5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (PubChem CID 136812623) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
PubChem CID136812623
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(CCN)no2)c[nH]1
InChIInChI=1S/C10H12N4O2/c1-6-4-8(15)7(5-12-6)10-13-9(2-3-11)14-16-10/h4-5H,2-3,11H2,1H3,(H,12,15)
InChIKeyLUVHFTJXCAMJII-UHFFFAOYSA-N
XLogP0.23
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812636
5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966610
5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966609
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
2-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65462851
[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
CID 137194875
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-[5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335484

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (CID 136812623) is 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2nc(CCN)no2)c[nH]1.
What is the InChIKey of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The InChIKey is LUVHFTJXCAMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-4-8(15)7(5-12-6)10-13-9(2-3-11)14-16-10/h4-5H,2-3,11H2,1H3,(H,12,15).
What are the key properties of 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 136812623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).