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

C10H12N4O2 — CID 91823129

IUPAC1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNCCc1noc(Cn2ccccc2=O)n1
InChIInChI=1S/C10H12N4O2/c11-5-4-8-12-9(16-13-8)7-14-6-2-1-3-10(14)15/h1-3,6H,4-5,7,11H2
InChIKeySCYUSJWADSIFKP-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.22
Rot. Bonds4

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

1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (PubChem CID 91823129) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
PubChem CID91823129
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNCCc1noc(Cn2ccccc2=O)n1
InChIInChI=1S/C10H12N4O2/c11-5-4-8-12-9(16-13-8)7-14-6-2-1-3-10(14)15/h1-3,6H,4-5,7,11H2
InChIKeySCYUSJWADSIFKP-UHFFFAOYSA-N
XLogP-0.22
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (CID 91823129) is 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is NCCc1noc(Cn2ccccc2=O)n1.
What is the InChIKey of 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is SCYUSJWADSIFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-5-4-8-12-9(16-13-8)7-14-6-2-1-3-10(14)15/h1-3,6H,4-5,7,11H2.
What are the key properties of 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 91823129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).