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

C11H14N4O2 — CID 136710759

IUPAC5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCCC(N)c1noc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H14N4O2/c1-2-3-8(12)10-14-11(17-15-10)7-4-5-9(16)13-6-7/h4-6,8H,2-3,12H2,1H3,(H,13,16)
InChIKeyIEZIJBHJDPIELS-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.22
Rot. Bonds4

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

5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 136710759) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID136710759
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCCC(N)c1noc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H14N4O2/c1-2-3-8(12)10-14-11(17-15-10)7-4-5-9(16)13-6-7/h4-6,8H,2-3,12H2,1H3,(H,13,16)
InChIKeyIEZIJBHJDPIELS-UHFFFAOYSA-N
XLogP1.22
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696
3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 114040934
4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61325213
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 63195096
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62920470
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 80641531

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 136710759) is 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is CCCC(N)c1noc(-c2ccc(=O)[nH]c2)n1.
What is the InChIKey of 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is IEZIJBHJDPIELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-8(12)10-14-11(17-15-10)7-4-5-9(16)13-6-7/h4-6,8H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136710759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).