[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine

C12H16N4O — CID 62434127

IUPAC[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCN(Cc1ccccn1)Cc1cc(CN)no1
InChIInChI=1S/C12H16N4O/c1-16(8-10-4-2-3-5-14-10)9-12-6-11(7-13)15-17-12/h2-6H,7-9,13H2,1H3
InChIKeyAEXOXEDLTVQNCO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds5

About [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine

[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62434127) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62434127
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
SMILESCN(Cc1ccccn1)Cc1cc(CN)no1
InChIInChI=1S/C12H16N4O/c1-16(8-10-4-2-3-5-14-10)9-12-6-11(7-13)15-17-12/h2-6H,7-9,13H2,1H3
InChIKeyAEXOXEDLTVQNCO-UHFFFAOYSA-N
XLogP1.16
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine (CID 62434127) is [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine is CN(Cc1ccccn1)Cc1cc(CN)no1.
What is the InChIKey of [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is AEXOXEDLTVQNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(8-10-4-2-3-5-14-10)9-12-6-11(7-13)15-17-12/h2-6H,7-9,13H2,1H3.
What are the key properties of [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine?
[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62434127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).