3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

C10H11N3O2 — CID 82506831

IUPAC3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2ccno2)c1=O
InChIInChI=1S/C10H11N3O2/c11-6-8-2-1-5-13(10(8)14)7-9-3-4-12-15-9/h1-5H,6-7,11H2
InChIKeyKOAPQFRARUCVPS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.34
Rot. Bonds3

About 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one

3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (PubChem CID 82506831) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
PubChem CID82506831
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2ccno2)c1=O
InChIInChI=1S/C10H11N3O2/c11-6-8-2-1-5-13(10(8)14)7-9-3-4-12-15-9/h1-5H,6-7,11H2
InChIKeyKOAPQFRARUCVPS-UHFFFAOYSA-N
XLogP0.34
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one (CID 82506831) is 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is NCc1cccn(Cc2ccno2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
The InChIKey is KOAPQFRARUCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-6-8-2-1-5-13(10(8)14)7-9-3-4-12-15-9/h1-5H,6-7,11H2.
What are the key properties of 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one?
3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(1,2-oxazol-5-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82506831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).