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

C11H14N4O2 — CID 136966610

IUPAC5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(C(C)CN)no2)c[nH]1
InChIInChI=1S/C11H14N4O2/c1-6(4-12)10-14-11(17-15-10)8-5-13-7(2)3-9(8)16/h3,5-6H,4,12H2,1-2H3,(H,13,16)
InChIKeyKWYLUXWHCYTRQI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.80
Rot. Bonds3

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

5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (PubChem CID 136966610) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
PubChem CID136966610
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(C(C)CN)no2)c[nH]1
InChIInChI=1S/C11H14N4O2/c1-6(4-12)10-14-11(17-15-10)8-5-13-7(2)3-9(8)16/h3,5-6H,4,12H2,1-2H3,(H,13,16)
InChIKeyKWYLUXWHCYTRQI-UHFFFAOYSA-N
XLogP0.80
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (CID 136966610) is 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2nc(C(C)CN)no2)c[nH]1.
What is the InChIKey of 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The InChIKey is KWYLUXWHCYTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(4-12)10-14-11(17-15-10)8-5-13-7(2)3-9(8)16/h3,5-6H,4,12H2,1-2H3,(H,13,16).
What are the key properties of 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one has a molecular weight of 234.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 136966610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).