3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one

C10H11N3O2 — CID 82506832

IUPAC3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2cnoc2)c1=O
InChIInChI=1S/C10H11N3O2/c11-4-9-2-1-3-13(10(9)14)6-8-5-12-15-7-8/h1-3,5,7H,4,6,11H2
InChIKeyVZYLHSRFJRXDAQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.34
Rot. Bonds3

About 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one

3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one (PubChem CID 82506832) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
PubChem CID82506832
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2cnoc2)c1=O
InChIInChI=1S/C10H11N3O2/c11-4-9-2-1-3-13(10(9)14)6-8-5-12-15-7-8/h1-3,5,7H,4,6,11H2
InChIKeyVZYLHSRFJRXDAQ-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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Related Compounds

3-(aminomethyl)-1-prop-2-enylpyridin-2-one
CID 82502852
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
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3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
CID 107017591
3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
CID 82186492
[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416460
3-(aminomethyl)-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 107017612
3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide
CID 107017642
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
3-amino-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 65478210

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one (CID 82506832) is 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one is NCc1cccn(Cc2cnoc2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The InChIKey is VZYLHSRFJRXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-4-9-2-1-3-13(10(9)14)6-8-5-12-15-7-8/h1-3,5,7H,4,6,11H2.
What are the key properties of 3-(aminomethyl)-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
3-(aminomethyl)-1-(1,2-oxazol-4-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-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82506832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).